SCHEMBL13651209

SCHEMBL13651209

CCSc1nc2cc(OC)ccc2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 15/20 0.78
CYP2C8 P10632 15/20 0.78
CYP2D6 P10635 15/20 0.78
CYP2C9 P11712 15/20 0.78
CYP2B6 P20813 15/20 0.78
CYP2C19 P33261 15/20 0.78
CYP1A2 P05177 14/20 0.78
CYP3A4 P08684 14/20 0.78
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HPGD P15428 1/20 0.58
BRS3 P32247 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL7592737 0.87 RAB9A (0.77) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL15693611 0.84 RAB9A (0.76) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL9743293 0.84 CYP2E1 (0.61) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL22468988 0.84 CYP2E1 (0.81) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL1101910 0.83 CYP2C19 (0.54) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL8768278 0.82 LMNA (0.79) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL4650009 0.82 CYP2E1 (0.81) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL13381572 0.82 NPC1 (0.61) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL14495707 0.81 CYP2C19 (0.52) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL15693621 0.81 NPC1 (0.81) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 YODA THERAPEUTICS INC. (TW) 2023-01-19 US disclosed
US-11370775-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors Tseng, Yufeng Jane (US) 2022-06-28 US disclosed
US-20200361894-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2020-11-19 US disclosed
US-20090253911-A1 New Compounds Useful for the Synthesis of S- and R-Omeprazole and a Process for Their Preparation VON UNGE SVERKER 2009-10-08 US disclosed
US-20080255199-A1 Compounds Useful for the Synthesis of S- and R-Omeprazole and a Process for Their Preparation ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20070161682-A1 Compounds Useful for the Synthesis of S- and R-Omeprazole and a Process for their Preparation UNGE SVERKER V 2007-07-12 US 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 (6 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-20230018423-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATMENT AND/OR PREVENTION OF DISEASES AND DISORDERS MEDIATED BY NLRP3 NLRP3, NOD1, NLRP1 CYP2E1 269/4885CYP2C8 390/4885CYP2D6 699/4885
US-11370775-B2 Substituted benzimidazole derivatives as D-amino acid oxidase (DAAO) inhibitors DAO, DDO, IL4I1 CYP2E1 145/4885CYP2C8 415/4885CYP2D6 176/4885
US-20070161682-A1 Compounds Useful for the Synthesis of S- and R-Omeprazole and a Process for their Preparation TPMT, RPS4X, MRPS34 CYP2E1 32/4885CYP2C8 51/4885CYP2D6 16/4885
US-20080255199-A1 Compounds Useful for the Synthesis of S- and R-Omeprazole and a Process for Their Preparation TPMT, MRPS34, RPS4X CYP2E1 50/4885CYP2C8 44/4885CYP2D6 21/4885
US-20200361894-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS DAO, DDO, DDC CYP2E1 302/4885CYP2C8 598/4885CYP2D6 417/4885
US-20090253911-A1 New Compounds Useful for the Synthesis of S- and R-Omeprazole and a Process for Their Preparation TPMT, RPS4X, MRPS34 CYP2E1 49/4885CYP2C8 70/4885CYP2D6 29/4885

“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.