SCHEMBL750245

SCHEMBL750245

O=C(O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.63
CTSL P07711 4/20 0.63
ABCB1 P08183 1/20 0.58
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
MYC P01106 1/20 0.55
MAX P61244 1/20 0.55
POLB P06746 1/20 0.55
MRGPRX4 Q96LA9 5/20 0.54
CASP6 P55212 1/20 0.54

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
SCHEMBL750963 0.89 CTSV (0.58) CTSVCTSLABCB1MEN1MAPT
SCHEMBL29368594 0.89 ALDH1A1 (0.63) CTSVCTSLABCB1MEN1MAPT
SCHEMBL965943 0.89 ALDH1A1 (0.63) CTSVCTSLABCB1MEN1MAPT
SCHEMBL16004968 0.89 ABCB1 (0.59) CTSVCTSLABCB1MEN1MAPT
SCHEMBL9658186 0.89 CTSV (0.58) CTSVCTSLABCB1MEN1MAPT
SCHEMBL30082870 0.89 MYC (0.67) CTSVCTSLABCB1MEN1KMT2A
SCHEMBL528177 0.89 MYC (0.67) CTSVCTSLABCB1MEN1KMT2A
SCHEMBL7516329 0.88 NR4A2 (0.55) CTSVCTSLPOLBMRGPRX4CASP6
SCHEMBL11091089 0.88 CTSV (0.57) CTSVCTSLABCB1MEN1MAPT
SCHEMBL1455427 0.87 MAPT (0.62) CTSVCTSLMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110183348-B N- (3-nitro-4-alkoxy benzoyl) amino acid compound, preparation method and application thereof 中国医科大学 2022-06-03 CN disclosed
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-11-11 US disclosed
WO-2021222174-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2021-11-04 WO disclosed
US-10301598-B2 Low-molecular-compound for improving production, maintenance and proliferation of pluripotent stem cells, composition comprising the same, and culture method KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2019-05-28 US disclosed
US-20170159023-A1 NOVEL LOW-MOLECULAR-COMPOUND FOR IMPROVING PRODUCTION, MAINTENANCE AND PROLIFERATION OF PLURIPOTENT STEM CELLS, COMPOSITION COMPRISING THE SAME, AND CULTURE METHOD KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2017-06-08 US disclosed
EP-2774918-B1 NOVEL LOW-MOLECULAR WEIGHT COMPOUND FOR PROMOTING PLURIPOTENT STEM CELL GENERATION, MAINTENANCE, AND PROLIFERATION, AND COMPOSITION AND CULTURING METHOD CONTAINING SAME KOREA RES INST BIOSCIENCE & BIOTECHNOLOGY (KR) 2017-03-22 EP disclosed
US-9587225-B2 Low-molecular-compound for improving production, maintenance and proliferation of pluripotent stem cells, composition comprising the same, and culture method KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2017-03-07 US disclosed
US-20150159142-A1 NOVEL LOW-MOLECULAR-COMPOUND FOR IMPROVING PRODUCTION, MAINTENANCE AND PROLIFERATION OF PLURIPOTENT STEM CELLS, COMPOSITION COMPRISING THE SAME, AND CULTURE METHOD Korea Reasearch Institute of Bioscience and Biotechnology (KR) 2015-06-11 US disclosed
EP-2774918-A1 NOVEL LOW-MOLECULE COMPOUND FOR PROMOTING PLURIPOTENT STEM CELL GENERATION, MAINTENANCE, AND PROLIFERATION, AND COMPOSITION AND CULTURING METHOD CONTAINING SAME Korea Research Institute of Bioscience and Biotechology (KR) 2014-09-10 EP disclosed
CN-101454285-B Oxadiazole derivatives as comt inhibitors PORTELA & CA SA 2012-06-27 CN disclosed
CN-101454285-A Oxadiazole derivatives as comt inhibitors PORTELA & CA SA (PT) 2009-06-10 CN disclosed
CN-101379044-A Heterobicyclic sulfonamide derivatives for the treatment of diabetes HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
EP-1996563-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-12-03 EP disclosed
WO-2007093507-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 US disclosed
WO-2007017092-A1 SUBSTITUTED 4-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 WO disclosed
WO-2007017092-A1 SUBSTITUTED 4-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 WO disclosed
US-5529998-A ANTIBACTERIAL MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
CN-1122803-A Benzoxazolyl- and benzothiazolyloxazolidinones BAYER AG (DE) 1996-05-22 CN disclosed
EP-0697412-A1 Benzoxazolyl- and benzo-thiazolyl-oxazolidinones BAYER AG (DE) 1996-02-21 EP 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-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS BCL2, BCL2L2, BCL2L1 CTSV 378/4885CTSL 522/4885ABCB1 127/4885
US-20150159142-A1 NOVEL LOW-MOLECULAR-COMPOUND FOR IMPROVING PRODUCTION, MAINTENANCE AND PROLIFERATION OF PLURIPOTENT STEM CELLS, COMPOSITION COMPRISING THE SAME, AND CULTURE METHOD MYC, MYCBP, HES1 CTSV 4535/4885CTSL 3890/4885ABCB1 3802/4885
US-10301598-B2 Low-molecular-compound for improving production, maintenance and proliferation of pluripotent stem cells, composition comprising the same, and culture method AANAT, MKI67, VIM CTSV 4765/4885CTSL 4700/4885ABCB1 1464/4885
US-20170159023-A1 NOVEL LOW-MOLECULAR-COMPOUND FOR IMPROVING PRODUCTION, MAINTENANCE AND PROLIFERATION OF PLURIPOTENT STEM CELLS, COMPOSITION COMPRISING THE SAME, AND CULTURE METHOD AANAT, MKI67, ACP1 CTSV 4773/4885CTSL 4674/4885ABCB1 1604/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 CTSV 2644/4885CTSL 2313/4885ABCB1 89/4885

“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.