SCHEMBL445091

SCHEMBL445091

O=[N+]([O-])N1CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
CDK4 P11802 1/20 0.46
ALOX15 P16050 1/20 0.46
CCND1 P24385 1/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOTUM Q6P988 1/20 0.44
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL29413886 1.00 SIGMAR1 (0.47) SIGMAR1MEN1KMT2AALDH1A1USP2
Water SCHEMBL17077293 0.98 SIGMAR1 (0.46) SIGMAR1MEN1KMT2AALDH1A1USP2
SCHEMBL301140 0.89 SMN1; SMN2 (0.50) SIGMAR1MEN1KMT2ASMN1; SMN2NOTUM
SCHEMBL28328241 0.87 SMN1; SMN2 (0.46) SIGMAR1MEN1KMT2ASMN1; SMN2NOTUM
Sulfuric Acid SCHEMBL28331834 0.82 KMT2A (0.51) SIGMAR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7812431 0.77 LMNA (0.41) MEN1KMT2AALDH1A1USP2HTT
SCHEMBL11464258 0.72 ALDH1A1 (0.61) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL28184962 0.70 SIGMAR1 (0.41) SIGMAR1MEN1KMT2AALDH1A1USP2
SCHEMBL8132530 0.70 POLB (0.46) MEN1KMT2AHTTSMN1; SMN2
SCHEMBL10716518 0.69 MEN1 (0.42) SIGMAR1MEN1KMT2AALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321478-A Synthetic method of 4-fluoro-7-nitroindole or derivative thereof 上海代为化学科技有限公司 2021-02-05 CN claimed
CN-107459476-A Anti- aminated compounds of indole ring third and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2017-12-12 CN claimed
CN-102971290-A Cationic 6-aminoindolines, dyeing compositions containing them, processes and uses thereof OREAL 2013-03-13 CN claimed
CN-100475818-C Indolinospiropyran compounds and methods for manufacture ESSILOR INT (FR) 2009-04-08 CN claimed
CN-101389320-A Using alpha-hydroxycarbonyl compounds as reducing agents MORVUS TECHNOLOGY LTD (GB) 2009-03-18 CN claimed
CN-1444586-A Indolinospiropyran compounds and methods for their manufacture JOHNSON & JOHNSON VISON CARE I (US) 2003-09-24 CN claimed
EP-3492474-B1 INTERMEDIATES USED IN THE PRODUCTION OF DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2021-08-11 EP disclosed
CN-112321478-A Synthetic method of 4-fluoro-7-nitroindole or derivative thereof 上海代为化学科技有限公司 2021-02-05 CN disclosed
CN-112321478-A Synthetic method of 4-fluoro-7-nitroindole or derivative thereof 上海代为化学科技有限公司 2021-02-05 CN disclosed
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
US-10385066-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2019-08-20 US disclosed
EP-3492474-A1 INTERMEDIATES USED IN THE PRODUCTION OF DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GlaxoSmithKline LLC (US) 2019-06-05 EP disclosed
US-20190135829-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2019-05-09 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed
CN-1353709-A Bicyclic oxazolidinones as antibacterial agents PHARMACIA & UP JOHN CO (US) 2002-06-12 CN disclosed
CN-1063177-C Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines BRISTOL MYERS SQUIBB CO (US) 2001-03-14 CN disclosed
CN-1138042-A Antimigraine 1,2,5-thiadiazole derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines BRISTOL MYERS SQUIBB CO (US) 1996-12-18 CN 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 (4 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-10385066-B2 Compounds as diacylglycerol acyltransferase inhibitors DGAT1, DGAT2, LCAT SIGMAR1 4834/4885MEN1 3112/4885KMT2A 569/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SIGMAR1 2397/4885MEN1 2237/4885KMT2A 1457/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A SIGMAR1 2803/4885MEN1 3206/4885KMT2A 3017/4885
US-20190135829-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT SIGMAR1 4752/4885MEN1 3594/4885KMT2A 674/4885

“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.