SCHEMBL642371

SCHEMBL642371

CCn1c(C(=O)c2cc(C)cc(C#N)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.31
MAPT P10636 1/20 0.31
UBE2N P61088 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PGR P06401 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
SCHEMBL12752403 0.93 KMT2A (0.41) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL1484494 0.91 KDM4E (0.37) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12828505 0.91 KDM4E (0.33) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL1484469 0.91 KDM4E (0.41) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12752335 0.90 KMT2A (0.35) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12752441 0.89 KMT2A (0.35) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12752333 0.89 KMT2A (0.35) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12752174 0.89 KMT2A (0.40) KDM4EALDH1A1KMT2AMEN1TDP1
SCHEMBL12752358 0.89 MEN1 (0.32) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL12752407 0.89 MEN1 (0.34) KDM4EALDH1A1HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US 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-117417302-A Preparation method of Ai Nuowei forest 江苏艾迪药业股份有限公司 2024-01-19 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
CN-117074594-A Quality control method of Ai Nuowei forest related substances 扬州艾迪医药科技有限公司 2023-11-17 CN disclosed
CN-111999396-B Method for detecting content of anti-mugwort medicine by ultrasonic-assisted ionic liquid dispersion liquid microextraction High Performance Liquid Chromatography (HPLC) 扬州工业职业技术学院 2023-03-14 CN disclosed
CN-111999396-A Method for detecting content of anti-mugwort medicine by ultrasonic-assisted ionic liquid dispersion liquid microextraction High Performance Liquid Chromatography (HPLC) 扬州工业职业技术学院 2020-11-27 CN disclosed
CN-106860414-B anti-HIV compound preparation and preparation method and application thereof 江苏艾迪药业股份有限公司 2019-12-24 CN disclosed
CN-106860414-A A kind of compound preparation for AntiHIV1 RT activity and preparation method and application 江苏艾迪药业有限公司 2017-06-20 CN disclosed
US-20090163712-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-25 US disclosed
US-20090163712-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-25 US disclosed
US-20090163712-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-25 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
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-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

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-20090075939-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H KDM4E 790/4885ALDH1A1 1800/4885HPGD 2033/4885
US-20090163712-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2E, POLR2H KDM4E 2383/4885ALDH1A1 1058/4885HPGD 1013/4885

“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.