SCHEMBL1484445

SCHEMBL1484445

CCc1c(Nc2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPT P10636 4/20 0.40
TYMP P19971 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
HTT P42858 1/20 0.34
GBA1 P04062 1/20 0.33

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
SCHEMBL6640690 0.75 MAPK8 (0.40) POLBMAPTTYMPKDM4EALDH1A1
SCHEMBL5197709 0.70 TYMP (0.38) MAPTTYMPKDM4EALDH1A1HPGD
SCHEMBL6086452 0.69 PDE3B (0.38) POLBMAPTTYMPKDM4EALDH1A1
SCHEMBL6086721 0.69 TYMP (0.37) POLBTYMPKDM4EALDH1A1HPGD
SCHEMBL6085497 0.68 PDE3B (0.41) POLBMAPTTYMPKDM4EHPGD
SCHEMBL1484512 0.66 SMN1; SMN2 (0.35) POLBMAPTKDM4EALDH1A1HPGD
SCHEMBL14423060 0.66 TYMP (0.47) TYMPKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6560931 0.64 TYMP (0.33) MAPTTYMPKDM4EALDH1A1HPGD
SCHEMBL1323030 0.61 RAPGEF4 (0.65) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8582935 0.61 TYMP (0.45) MAPTTYMPKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US disclosed
EP-2167476-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (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-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H POLB 11/4885MAPT 437/4885TYMP 14/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H POLB 11/4885MAPT 437/4885TYMP 14/4885

“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.