SCHEMBL5489575

SCHEMBL5489575

CCC(=C/c1ccc2c(c1)OCO2)/C=C/C(=O)O.NC(=O)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
TRPV1 Q8NER1 3/20 0.52
NPC1 O15118 2/20 0.52
MAOB P27338 4/20 0.50
HPGD P15428 5/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 4/20 0.49
CYP1A2 P05177 4/20 0.49
HSD17B10 Q99714 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 2/20 0.49
CTSD P07339 1/20 0.49
ABCB1 P08183 1/20 0.49
ALOX5 P09917 1/20 0.49
GABRA1 P14867 1/20 0.49
MAOA P21397 1/20 0.49
MAPK1 P28482 1/20 0.49
GABRB2 P47870 1/20 0.49
DHODH Q02127 1/20 0.49

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
SCHEMBL5492796 1.00 RAB9A (0.52) RAB9ATRPV1NPC1MAOBHPGD
SCHEMBL5493874 0.94 KDM4E (0.47) RAB9ATRPV1NPC1MAOBHPGD
SCHEMBL5815295 0.92 TRPV1 (0.50) RAB9ATRPV1NPC1MAOBHPGD
SCHEMBL5497203 0.92 TRPV1 (0.50) RAB9ATRPV1NPC1MAOBHPGD
SCHEMBL5493158 0.87 RAB9A (0.56) RAB9ATRPV1NPC1MAOBHPGD
SCHEMBL4270755 0.87 CYP1A2 (0.57) HPGDKDM4EALDH1A1CYP3A4CYP1A2
SCHEMBL5489818 0.87 CYP1A2 (0.57) HPGDKDM4EALDH1A1CYP3A4CYP1A2
SCHEMBL5492850 0.87 CYP1A2 (0.57) HPGDKDM4EALDH1A1CYP3A4CYP1A2
SCHEMBL4270751 0.87 CYP1A2 (0.57) HPGDKDM4EALDH1A1CYP3A4CYP1A2
SCHEMBL29359315 0.86 TRPV1 (0.67) RAB9ATRPV1NPC1MAOBHPGD

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 4 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 disclosed
US-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-03-13 US disclosed
US-8580752-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTITIC AND INDUSTRIAL RESEARCH (IN) 2013-11-12 US disclosed
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-01-04 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 (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-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS DDC, APEH, AADAC RAB9A 2057/4885TRPV1 1550/4885NPC1 3733/4885
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs DDC, APEH, AADAC RAB9A 2057/4885TRPV1 1550/4885NPC1 3733/4885

“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.