SCHEMBL7123880

SCHEMBL7123880

COc1cc(C)c(C(N)=O)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
HPGD P15428 2/20 0.56
POLB P06746 4/20 0.53
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
PARP1 P09874 2/20 0.47
PARP10 Q53GL7 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NNMT P40261 1/20 0.42
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL347917 0.88 CYP3A4 (0.51) CYP3A4HPGDPOLBKMT2ASMN1; SMN2
SCHEMBL2383124 0.80 CYP3A4 (0.58) CYP3A4HPGDPOLBKMT2ASMN1; SMN2
SCHEMBL484746 0.80 KMT2A (0.64) CYP3A4HPGDPOLBKMT2ASMN1; SMN2
SCHEMBL11067587 0.78 CYP3A4 (0.79) CYP3A4HPGDPOLBKMT2ACA1
SCHEMBL4153927 0.78 CYP3A4 (0.58) CYP3A4HPGDPOLBKMT2ASMN1; SMN2
SCHEMBL939482 0.78 CYP3A4 (0.56) CYP3A4HPGDPOLBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL939484 0.78 KMT2A (0.62) CYP3A4HPGDPOLBKMT2ASMN1; SMN2
SCHEMBL3341002 0.78 NNMT (0.46) CYP3A4HPGDPOLBKMT2APARP1
SCHEMBL31465700 0.77 CYP3A4 (0.55) CYP3A4HPGDPOLBKMT2ASMN1; SMN2
SCHEMBL9241705 0.77 TAAR1 (0.52) CYP3A4POLBSMN1; SMN2PARP1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003528802-A 2003-09-30 JP claimed
US-20020025977-A1 N-phenyl benzimidazolecarboxamide and N-phenyl indolecarboxamide derivatives NEUROGEN CORPORATION 2002-02-28 US claimed
EP-1165517-A1 N-BENZIMIDAZOLYLMETHYL- AND N-INDOLYLMETHYL-BENZAMIDES AND THEIR USE AS CRF MODULATORS NEUROGEN CORPORATION (US) 2002-01-02 EP claimed
US-6281237-B1 MODULATORS OF CRF RECEPTORS AND ARE THEREFORE USEFUL FOR TREATING AFFECTIVE DISORDERS, ANXIETY, DEPRESSION, EATING DISORDERS, AND STRESS DISORDERS NEUROGEN CORPORATION 2001-08-28 US claimed
WO-2000059888-A1 N-BENZIMIDAZOLYLMETHYL- AND N-INDOLYLMETHYL-BENZAMIDES AND THEIR USE AS CRF MODULATORS NEUROGEN CORPORATION (US) 2000-10-12 WO claimed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 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 (4 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CYP3A4 4072/4885HPGD 2497/4885POLB 4540/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CYP3A4 4072/4885HPGD 2497/4885POLB 4540/4885
US-20020025977-A1 N-phenyl benzimidazolecarboxamide and N-phenyl indolecarboxamide derivatives CRHR1, CRHR2, HTR2C CYP3A4 1764/4885HPGD 2387/4885POLB 4486/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 CYP3A4 4168/4885HPGD 3328/4885POLB 4437/4885

“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.