SCHEMBL249385

SCHEMBL249385

CNCc1ccc(C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 5/20 0.59
NR1H4 Q96RI1 4/20 0.54
EPHX2 P34913 3/20 0.54
SRD5A2 P31213 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
CYP3A4 P08684 1/20 0.52
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48

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 SCHEMBL944164 0.98 KMT2A (0.63) KMT2AALDH1A1NR1H4EPHX2SRD5A2
SCHEMBL5616342 0.91 KMT2A (0.56) KMT2AALDH1A1NR1H4EPHX2SRD5A2
N-Benzylmethylamine SCHEMBL28452678 0.88 KDM4E (0.65) KMT2AALDH1A1NR1H4EPHX2SRD5A2
SCHEMBL5499807 0.85 KMT2A (0.50) KMT2AALDH1A1NR1H4EPHX2SRD5A2
SCHEMBL11864213 0.83 ALDH1A1 (0.62) KMT2AALDH1A1NR1H4EPHX2SRD5A2
SCHEMBL24178010 0.83 ALDH1A1 (0.59) KMT2AALDH1A1NR1H4EPHX2SRD5A2
SCHEMBL10131958 0.83 KMT2A (0.68) KMT2AALDH1A1NR1H4EPHX2KDM4E
SCHEMBL3503996 0.82 ALDH1A1 (0.81) KMT2AALDH1A1NR1H4EPHX2TP53
SCHEMBL8039506 0.82 KDM4E (0.57) ALDH1A1SRD5A2KDM4EMAPTCYP3A4
SCHEMBL3882642 0.81 PLA2G10 (0.57) KMT2AALDH1A1NR1H4EPHX2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313703-B1 PRODRUGS TO NMDA RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-02-13 EP claimed
US-7169759-B1 Tetrapeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-01-30 US claimed
EP-1313703-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-28 EP claimed
US-6407235-B1 A NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR-SUBTYPE SELECTIVE BLOCKERS; PRODRUGS HAVE IMPROVED SOLUBILITY AND ARE HYDROLYZED IN VIVO; FOR EXAMPLE, THE 4-AMINOMETHYL-BENZOIC ACID ESTER OF THE PHENOL, OR THE PHOSPHATE ESTER HOFFMANN-LA ROCHE INC. 2002-06-18 US claimed
US-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol EVOTEC INTERNATIONAL GMBH (DE) 2002-04-04 US claimed
EP-1192177-A1 STATINE-DERIVED TETRAPEPTIDE INHIBITORS OF BETA-SECRETASE Elan Pharmaceuticals, Inc. (US) 2002-04-03 EP claimed
WO-2002016321-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-28 WO claimed
WO-2000077030-A1 STATINE-DERIVED TETRAPEPTIDE INHIBITORS OF BETA-SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2000-12-21 WO claimed
CN-114539098-B Difunctional HDAC6 inhibitor, synthesis method and application 青岛大学 2024-05-24 CN disclosed
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
CN-111205244-B Thiazolo-ring compound, preparation method, intermediate and application thereof 上海科技大学 2023-08-18 CN disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 CN disclosed
US-11674136-B2 DNA-templated macrocycle library PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-13 US disclosed
US-20230152306-A1 NANOPARTICLES FOR SENSING USE AND PRODUCTION METHOD FOR SAME TearExo Inc. (JP) 2023-05-18 US disclosed
WO-2002016321-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-28 WO disclosed
US-6291673-B1 Folic acid derivatives PURDUE RESEARCH FOUNDATION 2001-09-18 US disclosed
US-6022956-A Water-soluble halotriazine-containing axo compounds, preparation thereof and use thereof as dyes DY STAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2000-02-08 US disclosed
EP-0957135-A1 Water-soluble halotriazine-containing azo compounds, preparation thereof and use thereof as dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1999-11-17 EP disclosed
US-5912251-A ENZYME INHIBITORS CHELSEA THERAPEUTICS, INC. 1999-06-15 US disclosed
WO-1999020626-A1 FOLIC ACID DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 1999-04-29 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-11674136-B2 DNA-templated macrocycle library IDE, IAPP, POLRMT KMT2A 3958/4885ALDH1A1 4658/4885NR1H4 1083/4885
US-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol HAO2, CYP2B6, CBR1 KMT2A 2738/4885ALDH1A1 149/4885NR1H4 350/4885

“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.