SCHEMBL317300

SCHEMBL317300

OB(O)c1ccc2cccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 2/20 0.58
CASP1 P29466 2/20 0.58
KMT2A Q03164 2/20 0.58
CASP7 P55210 1/20 0.58
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
HTT P42858 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
NR4A2 P43354 1/20 0.53
ENPP2 Q13822 2/20 0.44
CYP3A4 P08684 3/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CASP6 P55212 1/20 0.41
PDE10A Q9Y233 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL12506154 0.98 ALDH1A1 (0.56) ALDH1A1MEN1CASP1KMT2ACASP7
SCHEMBL28547337 0.86 ALDH1A1 (0.51) ALDH1A1MEN1CASP1KMT2ACASP7
SCHEMBL360458 0.85 NPC1 (0.57) ALDH1A1MEN1CASP1KMT2ACASP7
SCHEMBL29952779 0.85 NPC1 (0.57) ALDH1A1MEN1CASP1KMT2ACASP7
Water SCHEMBL29954172 0.83 NPC1 (0.55) ALDH1A1MEN1CASP1KMT2ACASP7
Hydrochloric Acid SCHEMBL29952307 0.83 NPC1 (0.55) ALDH1A1MEN1CASP1KMT2ACASP7
SCHEMBL12488527 0.80 NPC1 (0.52) ALDH1A1MEN1CASP1KMT2ACASP7
SCHEMBL29420006 0.78 CYP3A4 (0.56) ALDH1A1MEN1CASP1KMT2ACASP7
SCHEMBL28715752 0.78 CYP3A4 (0.56) ALDH1A1MEN1CASP1KMT2ACASP7
SCHEMBL856485 0.75 ENPP2 (0.55) ALDH1A1MEN1KMT2ACA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 196 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4703357-A1 TRIAZOLYL-CONTAINING COMPOUNDS Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2026-03-04 EP disclosed
US-12492168-B2 Organic material for an electronic optoelectronic device and electronic device comprising the organic material NOVALED GMBH (DE) 2025-12-09 US disclosed
US-12441702-B2 Substituted 4-benzyl and 4-benzoyl piperidine derivates CEPHALON LLC (US) 2025-10-14 US disclosed
US-20250257035-A1 1,4-Substituted Piperidine Derivatives CEPHALON LLC 2025-08-14 US disclosed
WO-2025111513-A1 COMPOUNDS USEFUL IN THE MODULATION OF KLHDC1 AND KLHDC2 ACTIVITY NURIX THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed
CN-114057815-B Novel 6-6 bicyclic aromatic ring substituted nucleosides as PRMT5 inhibitors 詹森药业有限公司 2025-02-25 CN disclosed
US-20250002472-A1 PYRIDYL-CONTAINING COMPOUND CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-01-02 US disclosed
US-20250002471-A1 6-SUBSTITUTED INDOLE COMPOUNDS GILEAD SCIENCES, INC. 2025-01-02 US disclosed
WO-2024222900-A1 TRIAZOLYL-CONTAINING COMPOUNDS 正大天晴药业集团股份有限公司 2024-10-31 WO disclosed
US-12098130-B2 1,4-substituted piperidine derivatives 89BIO LTD (IL) 2024-09-24 US disclosed
US-7314933-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-01-01 US disclosed
EP-1807418-A2 SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES AS VANILLOID RECEPTOR LIGANDS AND THEIR USES AS MEDICAMENT Amgen, Inc (US) 2007-07-18 EP disclosed
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-7109354-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
WO-2006047492-A2 SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES AS VANILLOID RECEPTOR LIGANDS AND THEIR USES AS MEDICAMENT AMGEN INC. (US) 2006-05-04 WO disclosed
US-20060089360-A1 Inflammatory or neuropathic pain and diseases involving sensory nerve function such as asthma, rheumatoid arthritis, osteoarthritis, inflammatory bowel disorders, urinary incontinence, migraine and psoriasis; 6-(1H-indol-5-yl)-N-(4-(trifluoromethyl)phenyl)-4-pyrimidinamine AMGEN INC. 2006-04-27 US disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250257035-A1 1,4-Substituted Piperidine Derivatives FASN, CES1, CPT1A ALDH1A1 110/4885MEN1 3857/4885CASP1 816/4885
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R ALDH1A1 3674/4885MEN1 1309/4885CASP1 803/4885
US-12441702-B2 Substituted 4-benzyl and 4-benzoyl piperidine derivates FASN, CES1, FADS2 ALDH1A1 106/4885MEN1 4260/4885CASP1 831/4885
US-12492168-B2 Organic material for an electronic optoelectronic device and electronic device comprising the organic material OCIAD1, OCIAD2, OR10J3 ALDH1A1 574/4885MEN1 3903/4885CASP1 2937/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 ALDH1A1 533/4885MEN1 4579/4885CASP1 3620/4885
US-20250002471-A1 6-SUBSTITUTED INDOLE COMPOUNDS SSB, IDO1, IDO2 ALDH1A1 2479/4885MEN1 2610/4885CASP1 845/4885
US-20250002472-A1 PYRIDYL-CONTAINING COMPOUND DPYD, TYMP, WEE1 ALDH1A1 594/4885MEN1 248/4885CASP1 231/4885
US-12098130-B2 1,4-substituted piperidine derivatives FASN, CES1, CPT1A ALDH1A1 110/4885MEN1 3857/4885CASP1 816/4885
US-20060089360-A1 Inflammatory or neuropathic pain and diseases involving sensory nerve function such as asthma, rheumatoid arthritis, osteoarthritis, inflammatory bowel disorders, urinary incontinence, migraine and psoriasis; 6-(1H-indol-5-yl)-N-(4-(trifluoromethyl)phenyl)-4-pyrimidinamine TRPV1, TRPA1, TRPV3 ALDH1A1 1866/4885MEN1 3420/4885CASP1 897/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.