SCHEMBL4497318

SCHEMBL4497318

O=C(O)c1cc2ccc(Cl)cc2nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CYP2C9 P11712 2/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
HPGD P15428 1/20 0.46
CASP7 P55210 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
GPR35 Q9HC97 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL30681928 1.00 KEAP1 (0.49) KEAP1NFE2L2ALDH1A1SMN1; SMN2TP53
SCHEMBL30682029 0.86 ALDH1A1 (0.50) KEAP1NFE2L2ALDH1A1SMN1; SMN2TP53
SCHEMBL2310035 0.86 ALDH1A1 (0.50) KEAP1NFE2L2ALDH1A1SMN1; SMN2TP53
SCHEMBL8574083 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TP53TSHRCASP1
SCHEMBL26617646 0.83 KEAP1 (0.54) KEAP1NFE2L2ALDH1A1ALOX5MEN1
SCHEMBL5203185 0.83 ALDH1A1 (0.71) KEAP1NFE2L2ALDH1A1KDM4EMEN1
SCHEMBL1284870 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TP53TSHRCASP1
SCHEMBL22743009 0.83 KEAP1 (0.46) KEAP1NFE2L2ALDH1A1KDM4EGPR35
SCHEMBL18987952 0.80 ALDH1A1 (0.46) KEAP1NFE2L2ALDH1A1KDM4EMEN1
SCHEMBL27699425 0.80 FABP3 (0.51) ALDH1A1SMN1; SMN2TP53TSHRCASP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514789-A1 <SUP2/>? <SUB2/>?V?BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA1.8 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2025-03-05 EP disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569580-B2 Tetrazolo[1,5-a]thieno[2,3-e]pyridine-4-carboxylic acid RIGEL PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7358259-B2 Tetrazoloquinoline, triazoloquinoline, and oxazoloquinoline compounds, e.g., 9-chloro-N-isopropoxytetrazolo[1,5-a]quinoline-4-carboxamide RIGEL PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-20070149520-A1 HCV Inhibitors And Methods Of Using Them RIGEL PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
EP-1668009-A1 HCV INHIBITORS AND METHODS OF USING THEM Rigel Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US disclosed
WO-2005121138-A2 HETEROTRICYCLIC COMPOUNDS FOR USE AS HCV INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 WO disclosed
US-20050090521-A1 HCV inhibitors and methods of using them RIGEL PHARMACEUTICALS, INC. 2005-04-28 US disclosed
WO-2005030774-A1 HCV INHIBITORS AND METHODS OF USING THEM RIGEL PHARMACEUTICALS, INC. (US) 2005-04-07 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 (3 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-20070149520-A1 HCV Inhibitors And Methods Of Using Them HAVCR2, GLS2, EIF2AK2 KEAP1 78/4885NFE2L2 834/4885ALDH1A1 874/4885
US-20050090521-A1 HCV inhibitors and methods of using them HAVCR2, GLS2, EIF2AK2 KEAP1 78/4885NFE2L2 834/4885ALDH1A1 874/4885
US-20050282850-A1 Heterotricylic compounds for use as HCV inhibitors HAVCR2, PYGL, HCCS KEAP1 440/4885NFE2L2 1392/4885ALDH1A1 2575/4885

“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.