SCHEMBL4157751

SCHEMBL4157751

COC(=O)C(Cc1ccccc1)N(C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 3/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CHRM1 P11229 1/20 0.43
ANPEP P15144 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL4168999 0.86 ALDH1A1 (0.49) ALDH1A1CYP2C9CYP2C19KMT2AMAPT
SCHEMBL7030654 0.85 ALDH1A1 (0.55) ATMCA12CA2CA7CA9
SCHEMBL5151597 0.85 ATM (0.50) ATMCA12CA2CA7CA9
SCHEMBL28878522 0.85 ATM (0.50) ATMCA12CA2CA7CA9
SCHEMBL7030656 0.85 ALDH1A1 (0.55) ATMCA12CA2CA7CA9
SCHEMBL31299894 0.85 ALDH1A1 (0.55) ATMCA12CA2CA7CA9
Hydrochloric Acid SCHEMBL28015581 0.84 ATM (0.49) ATMCA12CA2CA7CA9
Hydrochloric Acid SCHEMBL28015582 0.84 ATM (0.49) ATMCA12CA2CA7CA9
SCHEMBL4964528 0.83 CYP1A2 (0.50) ALDH1A1CYP2C9CYP2C19HSD17B10MEN1
SCHEMBL4964530 0.83 CYP1A2 (0.50) ALDH1A1CYP2C9CYP2C19HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309766-B2 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof Obschestvo S. Organichennoi Otvetstvennostiyu Pharmenterprises (RU) 2012-11-13 US disclosed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 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 (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-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof PAH, MAOA, APEH ATM 4490/4885CA12 2080/4885CA2 895/4885

“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.