SCHEMBL4901313

SCHEMBL4901313

Cc1ccc(C(=O)/N=C\N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 8/20 0.45
HTT P42858 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
PKM P14618 2/20 0.45
ATM Q13315 2/20 0.45
HPGD P15428 2/20 0.45
NLRP1 Q9C000 1/20 0.45
MEN1 O00255 1/20 0.45
NTSR1 P30989 1/20 0.45
KMT2A Q03164 1/20 0.45
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4901316 1.00 CYP1A2 (0.49) CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL7900930 1.00 CYP1A2 (0.49) CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL1186125 0.85 HTT (0.44) CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL1186128 0.85 HTT (0.44) CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL425120 0.83 HTT (0.61) CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL11289683 0.83 POLB (0.61) CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL11290394 0.83 RAB9A (0.51) ALDH1A1HTTSMN1; SMN2LMNANPSR1
SCHEMBL446955 0.83 HTT (0.61) CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2
SCHEMBL1438908 0.83 RAB9A (0.51) ALDH1A1HTTSMN1; SMN2LMNANPSR1
SCHEMBL11289686 0.83 POLB (0.61) CYP1A2CYP2C19ALDH1A1HTTSMN1; SMN2

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-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use PTC THERAPEUTICS, INC. (US) 2016-08-11 US disclosed
US-9315467-B2 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-20080119473-A1 Compounds for Nonsense Suppression, and Methods for Their Use PTC THERAPEUTICS, INC. 2008-05-22 US disclosed
EP-1799212-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044505-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2006-04-27 WO disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO 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 (3 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 CYP1A2 1942/4885CYP2C19 1857/4885ALDH1A1 2109/4885
US-20080119473-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 CYP1A2 4709/4885CYP2C19 4811/4885ALDH1A1 3402/4885
US-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 CYP1A2 4709/4885CYP2C19 4811/4885ALDH1A1 3402/4885

“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.