SCHEMBL7147683

SCHEMBL7147683

[C-]#[N+]Cc1ccc(OC)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.61
ATM Q13315 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 2/20 0.52
PPARG P37231 1/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
POLB P06746 2/20 0.50
CYP19A1 P11511 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
AOC3 Q16853 1/20 0.47
LDHA P00338 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
STAT3 P40763 1/20 0.46

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
SCHEMBL31385677 1.00 CA2 (0.61) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL12170298 0.83 KMT2A (0.51) CA2ALDH1A1POLBALOX12MEN1
SCHEMBL12170297 0.83 CYP17A1 (0.45) CA2KDM4EALDH1A1
SCHEMBL12170290 0.83 CA2 (0.41) CA2ATMKDM4EALDH1A1POLB
SCHEMBL12170327 0.82 MAPK1 (0.55) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL12296045 0.82 MEN1 (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30038388 0.81 DRD2 (0.50) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL2557092 0.81 ATM (0.59) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL9142784 0.78 PTGS2 (0.57) KDM4EALDH1A1CYP19A1CYP3A4AOC3
SCHEMBL16641094 0.76 CYP19A1 (0.77) CA2ATMKDM4EALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5403574-A Evaluation and treatment of the multidrug resistance phenotype BRIGHAM AND WOMEN'S HOSPITAL (US) 1995-04-04 US claimed
WO-1993000064-A2 EVALUATION AND TREATMENT OF THE MULTIDRUG RESISTANCE PHENOTYPE BRIGHAM AND WOMEN'S HOSPITAL (US) 1993-01-07 WO claimed
EP-4615521-A1 KETO-AMIDE-BASED FIBROBLAST ACTIVATION PROTEIN-TARGETED LIGAND LINKED TO AN IMAGING OR THERAPEUTIC AGENT, COMPOSITIONS AND METHODS OF USE Purdue Research Foundation (US) 2025-09-17 EP disclosed
WO-2025037000-A1 NOVEL FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND MEDICAL USES THEREOF UNIVERSITEIT ANTWERPEN (BE) 2025-02-20 WO disclosed
WO-2024102956-A1 KETO-AMIDE-BASED FIBROBLAST ACTIVATION PROTEIN-TARGETED LIGAND LINKED TO AN IMAGING OR THERAPEUTIC AGENT, COMPOSITIONS AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2024-05-16 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20100249089-A1 ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2010-09-30 US disclosed
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed
US-5403574-A Evaluation and treatment of the multidrug resistance phenotype BRIGHAM AND WOMEN'S HOSPITAL (US) 1995-04-04 US disclosed
WO-1993000064-A2 EVALUATION AND TREATMENT OF THE MULTIDRUG RESISTANCE PHENOTYPE BRIGHAM AND WOMEN'S HOSPITAL (US) 1993-01-07 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 (1 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-20100249089-A1 ABCG2 INHIBITOR ABCC1, ABCB1, ABCC5 CA2 3226/4885ATM 456/4885KDM4E 3717/4885

“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.