SCHEMBL8138043

SCHEMBL8138043

Oc1ccc(-c2cccnn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC4 P56524 2/20 0.46
DHODH Q02127 1/20 0.46
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NTSR1 P30989 1/20 0.42
ESR1 P03372 2/20 0.42

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
SCHEMBL13458062 0.80 GABRA1 (0.52) MAPTALDH1A1HDAC4DHODHMEN1
SCHEMBL29959678 0.79 RAB9A (0.50) HDAC4DHODHMEN1KMT2ANPC1
SCHEMBL121970 0.79 RAB9A (0.50) HDAC4DHODHMEN1KMT2ANPC1
SCHEMBL8467926 0.78 HDAC4 (0.46) MAPTALDH1A1HPGDHSD17B10HDAC4
SCHEMBL3458918 0.78 NPY5R (0.47) MAPTALDH1A1HDAC4DHODHMEN1
SCHEMBL30719418 0.78 HDAC4 (0.46) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL218007 0.78 L3MBTL1 (0.49) MAPTALDH1A1HPGDHDAC4DHODH
SCHEMBL16780594 0.78 HDAC4 (0.46) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL6850684 0.78 SLC6A2 (0.49) MAPTALDH1A1POLBHPGDHDAC4
SCHEMBL30661720 0.78 L3MBTL1 (0.49) MAPTALDH1A1HPGDHDAC4DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773552-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-02-17 EP claimed
WO-2019191229-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2019-10-03 WO claimed
CN-104761717-B A kind of PAEK quadripolymer and preparation method thereof 中国科学院长春应用化学研究所 2018-03-20 CN claimed
EP-4347571-B1 TRIAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER. HOFFMANN LA ROCHE (CH) 2026-04-22 EP disclosed
CN-121873039-A NLRP3 inflammatory corpuscle inhibitor 诺华股份有限公司 2026-04-17 CN disclosed
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2025-08-28 US disclosed
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2025-08-28 US disclosed
US-12378222-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2025-08-05 US disclosed
US-12378222-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2025-08-05 US disclosed
US-20250224398-A1 GASDERMIN E EXPRESSION IN HUMAN T CELLS AS A MARKER FOR PROINFLAMMATORY T CELL FUNCTIONS LEIBNIZ INST FUER NATURSTOFF FORSCHUNG UND INFEKTIONSBIOLOGIE E V HANS KNOELL INST HKI (DE) 2025-07-10 US disclosed
WO-2025133307-A1 HETEROCYCLIC MODULATORS OF THE NLRP3 INFLAMMASOME PATHWAY AC IMMUNE SA (CH) 2025-06-26 WO disclosed
CN-104725987-B A kind of coating composition and metal material 中国科学院长春应用化学研究所 2017-03-29 CN disclosed
CN-106398172-A Wear-resistant PEAK (polyaryletherketone) material and preparation method thereof 中国科学院长春应用化学研究所 2017-02-15 CN disclosed
CN-106398171-A High-strength polyaryletherketone material with stable size and preparation method thereof 中国科学院长春应用化学研究所 2017-02-15 CN disclosed
CN-101679299-A Nicotinic acid derivatives as modulators of metabotropic glutamate receptor-5 NOVARTIS AG 2010-03-24 CN disclosed
CN-1937995-A Keratin dyeing compositions comprising bicyclic 5-6 heteroaromatic dyeing compounds containing a ring-connected nitrogen atom PROCTER & GAMBLE (US) 2007-03-28 CN disclosed
CN-1155600-C 2, 3-diaryl pyrazolo [1, 5-b ] pyridazine derivatives, their preparation and their use as cyclooxygenase 2 inhibitors 2004-06-30 CN disclosed
CN-1278263-A 2,3-diaryl-pyrazolo [1,5-B] pyridazines derivatives, their prepn. and use as cyclooxygenase 2 (cox-2) inhibitors GLAXO GROUP LTD (GB) 2000-12-27 CN disclosed
EP-1056746-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-12-06 EP disclosed
WO-1999037648-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 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 (2 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-12378222-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 MAPT 931/4885ALDH1A1 2354/4885POLB 4672/4885
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 MAPT 913/4885ALDH1A1 2869/4885POLB 4636/4885

“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.