SCHEMBL15513480

SCHEMBL15513480

CC(C=CC(=O)O)=Cc1ccc2c(c1)OCO2.CC(N)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2C9 P11712 3/20 0.48
HSD17B10 Q99714 1/20 0.46
TRPM8 Q7Z2W7 4/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP2D6 P10635 3/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL5487655 0.84 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19CYP2C9HSD17B10
SCHEMBL5487654 0.84 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19CYP2C9HSD17B10
SCHEMBL5808562 0.84 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19CYP2C9HSD17B10
SCHEMBL5491746 0.81 LMNA (0.49) CYP1A2CYP3A4CYP2C19CYP2C9KDM4E
SCHEMBL5491743 0.81 LMNA (0.49) CYP1A2CYP3A4CYP2C19CYP2C9KDM4E
SCHEMBL15513969 0.78 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19CYP2C9HSD17B10
Pyrrole SCHEMBL5494473 0.76 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2C9HSD17B10
SCHEMBL5493158 0.76 RAB9A (0.56) CYP1A2CYP3A4CYP2C19CYP2C9HSD17B10
SCHEMBL8153633 0.74 ALDH1A1 (0.51) CYP1A2CYP3A4CYP2C19CYP2C9HSD17B10
Methylpiperazine SCHEMBL5498097 0.73 HPGD (0.56) CYP1A2CYP3A4CYP2C19CYP2C9HSD17B10

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-9073860-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-07 US claimed
US-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-03-13 US claimed

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-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS DDC, APEH, AADAC CYP1A2 69/4885CYP3A4 99/4885CYP2C19 19/4885

“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.