SCHEMBL3601730

SCHEMBL3601730

COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.50
ESRRA P11474 1/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
AR P10275 7/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PGR P06401 2/20 0.49
CES2 O00748 1/20 0.49
ABCB11 O95342 1/20 0.49
GLA P06280 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 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
SCHEMBL9385318 0.87 ALDH1A1 (0.51) LMNAHTTMAPTCYP3A4ALDH1A1
SCHEMBL29559830 0.87 ALDH1A1 (0.51) LMNAHTTMAPTCYP3A4ALDH1A1
SCHEMBL9493313 0.86 SIRT6 (0.49) SIRT6ESRRALMNAHTTAR
SCHEMBL17374957 0.85 ALDH1A1 (0.50) LMNAHTTMAPTCYP3A4ALDH1A1
SCHEMBL9651879 0.84 AR (0.54) LMNAHTTMAPTARCYP3A4
SCHEMBL3717453 0.83 AR (0.49) SIRT6LMNAHTTARCYP3A4
SCHEMBL15495141 0.83 EPHX2 (0.45) ESRRALMNAMAPTARSMN1; SMN2
SCHEMBL13012266 0.83 EPHX2 (0.42) ESRRALMNAHTTMAPTAR
SCHEMBL16580956 0.82 SIRT6 (0.44) SIRT6ESRRALMNAHTTMAPT
SCHEMBL17672578 0.81 ALDH1A1 (0.47) SIRT6ESRRALMNAHTTAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107793413-B Pyrimidine heterocyclic compound and preparation method and application thereof 上海科州药物研发有限公司 2021-09-28 CN disclosed
EP-2697207-B1 3-(2-ARYL-CYCLOALKENYLMETHYL)-OXAZOLIDIN-2-ONE DERIVATIVES AS CHOLESTEROL ESTER TRANSFER PROTEIN (CETP) INHIBITORS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2016-12-14 EP disclosed
US-9371294-B2 Cycloalkenyl aryl derivatives for CETP inhibitor CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-06-21 US disclosed
US-20150119376-A2 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-04-30 US disclosed
EP-1687285-B1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS NOVARTIS AG (CH) 2014-03-05 EP disclosed
EP-2697207-A2 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR Chong Kun Dang Pharmaceutical Corp. (KR) 2014-02-19 EP disclosed
US-20140031335-A1 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-01-30 US disclosed
WO-2012141487-A2 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2012-10-18 WO disclosed
WO-2012110860-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-08-23 WO disclosed
WO-2012110860-A1 TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-08-23 WO disclosed
US-20120135989-A1 AZAINDOLE DERIVATIVE CRYSTALGENOMICS, INC. (KR) 2012-05-31 US disclosed
US-7795288-B2 Thiazole and pyrazole derivatives as Flt-3 kinase inhibitors NOVARTIS AG (CH) 2010-09-14 US disclosed
US-7795288-B2 Thiazole and pyrazole derivatives as Flt-3 kinase inhibitors NOVARTIS AG (CH) 2010-09-14 US disclosed
US-20070167449-A1 Thiazole and pyrazole derivatives as flt-3 kinase inhibitors NOVARTIS PHARMA AG (CH) 2007-07-19 US disclosed
US-20070167449-A1 Thiazole and pyrazole derivatives as flt-3 kinase inhibitors NOVARTIS PHARMA AG (CH) 2007-07-19 US disclosed
EP-1687285-A1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP disclosed
WO-2005047273-A1 THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS NOVARTIS AG (CH) 2005-05-26 WO disclosed
US-6835745-B2 Treating or inhibiting osteoporosis or bone demineralization, inflammatory bowel disease, prostatic hypertrophy, uterine leiomyomas, breast cancer, endometriosis, endometrial cardiovascular disease, Alzheimer's disease WYETH 2004-12-28 US disclosed
US-20030199570-A1 Phenyl substituted thiophenes as estrogenic agents WYETH 2003-10-23 US disclosed
US-4879398-A Process for producing 2,6-disubstituted tyrosine MONSANTO COMPANY (US) 1989-11-07 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 (5 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-20150119376-A2 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CETP, MTTP, LCAT SIRT6 581/4885ESRRA 2698/4885LMNA 800/4885
US-20070167449-A1 Thiazole and pyrazole derivatives as flt-3 kinase inhibitors FLT3, FLT1, FLT4 SIRT6 2403/4885ESRRA 2420/4885LMNA 2263/4885
US-20030199570-A1 Phenyl substituted thiophenes as estrogenic agents ESR2, ESR1, GPER1 SIRT6 2228/4885ESRRA 4/4885LMNA 4745/4885
US-20140031335-A1 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CETP, MTTP, LCAT SIRT6 581/4885ESRRA 2698/4885LMNA 800/4885
US-20120135989-A1 AZAINDOLE DERIVATIVE CDC7, CDCA2, CDC5L SIRT6 1890/4885ESRRA 2971/4885LMNA 3951/4885

“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.