SCHEMBL501435

SCHEMBL501435

Cc1cc(C#N)cc(C(=O)c2[nH]c(=O)[nH]c(=O)c2C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.33
XDH P47989 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
PDE4A P27815 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ATM Q13315 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL30692756 1.00 GRIN1 (0.33) GRIN1XDHCYP1A2CYP3A4CYP2C9
SCHEMBL501528 0.92 GRIN1 (0.33) GRIN1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL501939 0.87 MAPT (0.37) CYP1A2CYP3A4CYP2C9HPGDALOX15
SCHEMBL12828506 0.87 GRIN1 (0.33) GRIN1XDH
SCHEMBL501247 0.87 VNN1 (0.34) GRIN1
SCHEMBL13956963 0.85 XDH (0.33) GRIN1XDH
SCHEMBL10204762 0.85 XDH (0.33) GRIN1XDH
SCHEMBL13955824 0.84 GRIN1 (0.31) GRIN1
SCHEMBL502133 0.82 XDH (0.34) XDHCYP1A2CYP3A4CYP2C9HPGD
SCHEMBL13486036 0.82 XDH (0.34) XDHCYP1A2CYP3A4CYP2C9HPGD

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063395-A Preparation method of anti-AIDS drug Ai Nuowei Lin Zhongjian 成都艾迪医药技术有限公司 2024-05-24 CN claimed
CN-118063395-A Preparation method of anti-AIDS drug Ai Nuowei Lin Zhongjian 成都艾迪医药技术有限公司 2024-05-24 CN disclosed
CN-117466825-A Preparation method of Ai Nuowei Lin Zhongjian body 南京艾迪医药科技有限公司 2024-01-30 CN disclosed
CN-117304118-A Synthesis method of anti-AIDS drug Ai Nuowei forest 江苏艾迪药业股份有限公司 2023-12-29 CN disclosed
EP-2167476-B1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RES INST CHEM TECH (KR) 2015-02-25 EP disclosed
EP-2167476-B1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RES INST CHEM TECH (KR) 2015-02-25 EP 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-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8354421-B2 HIV reverse transcriptase inhibitors KOREA RESEARCH INSITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-01-15 US disclosed
US-20090075939-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KP) 2009-03-19 US disclosed
US-20090075939-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KP) 2009-03-19 US disclosed
WO-2009005693-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 WO disclosed
WO-2008016522-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-02-07 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-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H GRIN1 1538/4885XDH 667/4885CYP1A2 3032/4885
US-20090075939-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H GRIN1 1538/4885XDH 667/4885CYP1A2 3032/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H GRIN1 2377/4885XDH 786/4885CYP1A2 3326/4885

“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.