SCHEMBL10089736

SCHEMBL10089736

CC(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.68
CRHR2 Q13324 1/20 0.68
HCAR3 P49019 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 7/20 0.56
MAPK1 P28482 6/20 0.56
TDP1 Q9NUW8 5/20 0.56
ALDH1A1 P00352 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL6156984 0.87 CRHBP (0.65) CRHBPCRHR2HCAR3SMN1; SMN2MAPT
SCHEMBL8810869 0.84 HCAR3 (0.68) CRHBPCRHR2HCAR3SMN1; SMN2LMNA
SCHEMBL26496466 0.83 ALDH1A1 (0.69) CRHBPCRHR2HCAR3SMN1; SMN2MAPT
SCHEMBL10505373 0.83 ALDH1A1 (0.69) CRHBPCRHR2HCAR3SMN1; SMN2MAPT
SCHEMBL8962619 0.83 ALDH1A1 (0.69) CRHBPCRHR2HCAR3SMN1; SMN2MAPT
SCHEMBL6132129 0.83 ALDH1A1 (0.69) CRHBPCRHR2HCAR3SMN1; SMN2MAPT
SCHEMBL9348638 0.83 ALDH1A1 (0.69) CRHBPCRHR2HCAR3SMN1; SMN2MAPT
SCHEMBL10249208 0.83 HCAR3 (0.63) CRHBPCRHR2HCAR3SMN1; SMN2MAPT
SCHEMBL27553527 0.83 CRHBP (0.60) CRHBPCRHR2SMN1; SMN2MAPTMAPK1
SCHEMBL8673641 0.82 HCAR3 (0.66) CRHBPCRHR2HCAR3SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 US disclosed
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2024-02-29 US disclosed
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-21 US disclosed
US-11725064-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2023-08-15 US disclosed
EP-4169905-A1 NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 EP disclosed
CN-115867277-A Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof 韩国科学技术研究院 2023-03-28 CN disclosed
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
CN-106983751-B Bicyclic substituted uracils and their use 拜耳医药股份有限公司 2020-01-07 CN disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
US-20190127487-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS YALE UNIVERSITY 2019-05-02 US disclosed
EP-3045456-A1 BICYCLIC SUBSTITUTED URACILS AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2016-07-20 EP disclosed
EP-2847190-B1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF Bayer Pharma AG (DE) 2016-04-06 EP disclosed
EP-2847190-B1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF Bayer Pharma AG (DE) 2016-04-06 EP disclosed
US-9296708-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2016-03-29 US disclosed
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
EP-2847190-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2015-03-18 EP disclosed
CN-104395310-A Bicyclic substituted uracils and their use Bayer Pharma AG 2015-03-04 CN disclosed
US-8852630-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2014-10-07 US disclosed
WO-2013167495-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-14 WO disclosed
US-20120034295-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS YALE UNIVERSITY 2012-02-09 US 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 (9 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-11725064-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 CRHBP 147/4885CRHR2 1344/4885HCAR3 2331/4885
US-20120034295-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 CRHBP 147/4885CRHR2 1344/4885HCAR3 2331/4885
US-20190127487-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 CRHBP 147/4885CRHR2 1344/4885HCAR3 2331/4885
US-10300062-B2 Bicyclically substituted uracils and the use thereof UNG, UMPS, TYMP CRHBP 3230/4885CRHR2 3927/4885HCAR3 1771/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP CRHBP 3230/4885CRHR2 3927/4885HCAR3 1771/4885
US-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, CLIC1 CRHBP 2160/4885CRHR2 96/4885HCAR3 162/4885
US-20150148340-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP CRHBP 3230/4885CRHR2 3927/4885HCAR3 1771/4885
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 CRHBP 147/4885CRHR2 1344/4885HCAR3 2331/4885
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF CBR3, DBF4, DDT CRHBP 3231/4885CRHR2 3278/4885HCAR3 1377/4885

“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.