SCHEMBL1484498

SCHEMBL1484498

CCc1c(N(C(C)=O)c2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.37
MAPT P10636 3/20 0.34
TSPO P30536 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TYMP P19971 1/20 0.33
POLB P06746 4/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1484530 0.78 TYMP (0.33) GBA1MAPTTSPOMEN1KMT2A
SCHEMBL1484474 0.70 ALDH1A1 (0.32) TSPOMEN1KMT2AKDM4EALDH1A1
SCHEMBL1484475 0.70 ALDH1A1 (0.32) TSPOMEN1KMT2AKDM4EALDH1A1
SCHEMBL6085497 0.69 PDE3B (0.41) MAPTTYMPPOLBKDM4EHSD17B10
SCHEMBL501817 0.69 XDH (0.31)
SCHEMBL5197709 0.65 TYMP (0.38) MAPTTYMPKDM4EALDH1A1HSD17B10
SCHEMBL6640690 0.64 MAPK8 (0.40) GBA1MAPTMEN1KMT2ATYMP
SCHEMBL6086452 0.64 PDE3B (0.38) MAPTTYMPPOLBKDM4EALDH1A1
SCHEMBL6086721 0.64 TYMP (0.37) TYMPPOLBKDM4EALDH1A1HSD17B10
SCHEMBL1484445 0.64 POLB (0.40) GBA1MAPTMEN1KMT2ATYMP

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 11 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-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
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-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 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
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 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 GBA1 512/4885MAPT 437/4885TSPO 4046/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H GBA1 512/4885MAPT 437/4885TSPO 4046/4885

“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.