SCHEMBL2900640

SCHEMBL2900640

NCc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
LOXL2 Q9Y4K0 3/20 0.59
PBRM1 Q86U86 1/20 0.58
ALDH1A1 P00352 1/20 0.54
CFD P00746 1/20 0.53
CYP19A1 P11511 1/20 0.51
SRD5A2 P31213 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
ENPP2 Q13822 1/20 0.48
STS P08842 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
FOLH1 Q04609 1/20 0.47

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
SCHEMBL27594322 0.94 LOXL2 (0.65) ATMTDP1L3MBTL1LOXL2PBRM1
SCHEMBL203283 0.86 ALDH1A1 (0.61) ATMTDP1L3MBTL1LOXL2PBRM1
SCHEMBL10905589 0.85 ATM (0.59) ATMTDP1L3MBTL1LOXL2PBRM1
Hydrochloric Acid SCHEMBL2450035 0.84 ALDH1A1 (0.58) ATMTDP1L3MBTL1LOXL2PBRM1
SCHEMBL31500915 0.84 FOLH1 (0.66) LOXL2CYP2D6CYP2C9ENPP2CA1
SCHEMBL61226 0.84 FOLH1 (0.66) LOXL2CYP2D6CYP2C9ENPP2CA1
SCHEMBL31500919 0.84 FOLH1 (0.66) LOXL2CYP2D6CYP2C9ENPP2CA1
Benzoic Acid SCHEMBL10764505 0.82 LOXL2 (0.56) LOXL2CFDSRD5A2CYP1A2CYP2D6
Water SCHEMBL8887800 0.82 FOLH1 (0.63) LOXL2CYP2D6CYP2C9ENPP2FOLH1
Hydrochloric Acid SCHEMBL4232340 0.82 FOLH1 (0.63) LOXL2CYP2D6CYP2C9ENPP2FOLH1

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-9169710-A None JP disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
EP-2240178-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-10-20 EP disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 WO disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
JP-H09169710-A ANTIFUNGAL AGENT AND COMPOSITION CONTAINING THE SAME POLA CHEM IND INC 1997-06-30 JP 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 (2 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 ATM 4425/4885TDP1 2164/4885L3MBTL1 2188/4885
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 ATM 1087/4885TDP1 390/4885L3MBTL1 3986/4885

“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.