Pyrrole

Pyrrole

SCHEMBL5498065

CCC(C=CC(=O)O)=Cc1ccc(OC)c(OC)c1.c1cc[nH]c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SNCA P37840 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NFE2L2 Q16236 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
AKR1C3 P42330 2/20 0.43
MAPT P10636 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
SCHEMBL4273021 0.92 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EHPGDALOX15
SCHEMBL4273025 0.92 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EHPGDALOX15
SCHEMBL5493607 0.80 KDM4E (0.52) ALDH1A1SMN1; SMN2KDM4EHPGDALOX15
Pyrrole SCHEMBL5494858 0.76 CYP1A2 (0.50) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL5494342 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDALOX15
SCHEMBL5494346 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDALOX15
SCHEMBL5498063 0.75 KDM4E (0.67) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL5493118 0.74 THRB (0.58) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL5493120 0.74 THRB (0.58) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL18172906 0.72 HDAC3 (0.48) ALDH1A1SMN1; SMN2KDM4ETDP1NPC1

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 9 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
US-8580752-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTITIC AND INDUSTRIAL RESEARCH (IN) 2013-11-12 US claimed
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-01-04 US claimed
WO-2006103527-A1 AROMATIC SUBSTITUTED PENTADIENOIC ACID AMIDE FOR COMBINATION WITH ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-10-05 WO claimed
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 ALDH1A1 265/4885SMN1; SMN2 4828/4885KDM4E 1523/4885
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs DDC, APEH, AADAC ALDH1A1 265/4885SMN1; SMN2 4828/4885KDM4E 1523/4885

“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.