SCHEMBL873623

SCHEMBL873623

O=[N+]([O-])c1cccc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.38
TXNRD1 Q16881 3/20 0.37
GSR P00390 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
PDE10A Q9Y233 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 2/20 0.36
MERTK Q12866 1/20 0.36
GPR35 Q9HC97 1/20 0.35
OPRK1 P41145 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL29665710 1.00 TSHR (0.43) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL3294386 0.84 TSHR (0.46) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL3144065 0.77 LMNA (0.41) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL11817568 0.75 TSHR (0.50) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL16289365 0.74 LMNA (0.38) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL31511551 0.74 TSHR (0.38) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL18387601 0.74 LMNA (0.38) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL30945318 0.74 ALDH1A1 (0.49) TSHRTDP1ALDH1A1LMNAKMT2A
SCHEMBL4494414 0.74 LMNA (0.38) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL188183 0.74 TSHR (0.38) TSHRCYP3A4TDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4027995-B1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS SATURN INC (US) 2026-05-27 EP disclosed
US-12636385-B2 Selective ligands for tau aggregates SENTONIX, INC. (US) 2026-05-26 US disclosed
EP-4709373-A2 HETEROCYCLIC COMPOUNDS FOR IMAGING AGGREGATED TAU IN TAUOPATHIES University of Pittsburgh - Of the Commonwealth System of Higher Education (US) 2026-03-18 EP disclosed
US-20260062430-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS INC (US) 2026-03-05 US disclosed
EP-4680607-A1 BICYCLIC UREAS AS KINASE INHIBITORS Incyte Corporation (US) 2026-01-21 EP disclosed
EP-4652159-A1 INHIBITORS OF KIF18A AND USES THEREOF Insilico Medicine IP Limited (HK) 2025-11-26 EP disclosed
US-20250340569-A1 INHIBITORS OF KIF18A AND USES THEREOF INSILICO MEDICINE IP LTD (CN) 2025-11-06 US disclosed
WO-2025226545-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-10-30 WO disclosed
US-20250289803-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES SENTONIX INC (US) 2025-09-18 US disclosed
EP-4612139-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES Sentonix, Inc. (US) 2025-09-10 EP disclosed
US-6864261-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2005-03-08 US disclosed
EP-1214296-B1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-20040053914-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2004-03-18 US disclosed
US-6689909-B1 TREATMENT OF DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF DIABETES MELLITUS, PERIPHERAL VASCULAR DISEASE AND MYOCARDIAL ISCHAEMIA ASTRAZENECA AB (SE) 2004-02-10 US disclosed
WO-2003093236-A1 1-(PYRID-2-YL)-PIPERAZINE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR INHIBITOR EURO-CELTIQUE, S.A. (LU) 2003-11-13 WO disclosed
EP-1348698-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Kyorin Pharmaceutical Co., Ltd. (JP) 2003-10-01 EP disclosed
CN-1387509-A Substd. N-phenyl-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide derivs. which elevate pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-25 CN disclosed
EP-1214296-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001017956-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2001-03-15 WO disclosed
EP-0385850-A2 Benzimidazole and azabenzimidazole derivatives, process for their preparation, synthesis intermediates, pharmaceutical compositions containing them, useful for the treatment of cardiovascular diseases and duodenal ulcers LABORATOIRES UPSA (FR) 1990-09-05 EP 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 (5 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-20040053914-A1 Therapeutic agents useful for treating pain SMN1; SMN2, OPRM1, PSEN1 TSHR 2139/4885CYP3A4 4358/4885TDP1 997/4885
US-12636385-B2 Selective ligands for tau aggregates MAPT, PSEN2, PSEN1 TSHR 1125/4885CYP3A4 4635/4885TDP1 757/4885
US-20250340569-A1 INHIBITORS OF KIF18A AND USES THEREOF KIF18A, KIF18B, KIF2C TSHR 4396/4885CYP3A4 4792/4885TDP1 213/4885
US-20250289803-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES MAPT, PSEN1, PSEN2 TSHR 391/4885CYP3A4 4080/4885TDP1 257/4885
US-20260062430-A1 INHIBITORS OF KIF18A AND USES THEREOF KIF18A, KIF18B, KIF5B TSHR 3109/4885CYP3A4 4435/4885TDP1 852/4885

“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.