SCHEMBL190588

SCHEMBL190588

CC1(C)OB(c2ccc(N)c([N+](=O)[O-])c2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.54
TSHR P16473 2/20 0.51
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
PKM P14618 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 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
SCHEMBL1065935 0.89 TDP1 (0.49) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL25934438 0.88 TDP1 (0.45) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL4550135 0.84 ALDH1A1 (0.47) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL14158127 0.83 ALDH1A1 (0.56) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL2489484 0.83 ALDH1A1 (0.56) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL23926487 0.83 VCAM1 (0.47) TDP1MAPTALDH1A1LMNALPL
SCHEMBL30955191 0.83 VCAM1 (0.47) TDP1MAPTALDH1A1LMNALPL
SCHEMBL29398685 0.81 MAPT (0.45) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL3678053 0.81 MAPT (0.45) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL1237710 0.81 ALDH1A1 (0.41) TDP1MAPTKMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025053634-A1 NOVEL QUINAZOLINE-BENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND USE THEREOF 고려대학교 산학협력단 2025-03-13 WO claimed
WO-2025053634-A1 NOVEL QUINAZOLINE-BENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND USE THEREOF 고려대학교 산학협력단 2025-03-13 WO disclosed
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer ATLASMEDX, INC. (US) 2024-11-19 US disclosed
US-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-07 US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
EP-3475272-B1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-09-13 EP disclosed
EP-3475272-B1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-09-13 EP disclosed
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 US disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 US disclosed
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 US disclosed
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 US disclosed
US-20070037788-A1 5-(3,8-Difluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-1-(1-ethyl-pyrrolidin-3-yl) -1,3-dihydro-benzoimidazol-2-one; antiinflammatory, antidiabetic agent; electrolytes and water retention modulator; hypotensive, hypoglycemic agent; arrhythmias, myocardial fibrosis, osteoporosis, polyuria, polydipsia ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
US-20070037788-A1 5-(3,8-Difluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-1-(1-ethyl-pyrrolidin-3-yl) -1,3-dihydro-benzoimidazol-2-one; antiinflammatory, antidiabetic agent; electrolytes and water retention modulator; hypotensive, hypoglycemic agent; arrhythmias, myocardial fibrosis, osteoporosis, polyuria, polydipsia ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
WO-2006113458-A1 HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-26 WO disclosed
EP-1713793-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS Smithkline Beecham Corporation (US) 2006-10-25 EP disclosed
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 US disclosed
WO-2005076854-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed
WO-2005066161-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 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 (7 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-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS CHP1, ERAP1, QSOX1 TDP1 3641/4885TSHR 1418/4885MAPT 4776/4885
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 TDP1 987/4885TSHR 1170/4885MAPT 1315/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 TDP1 3614/4885TSHR 1363/4885MAPT 4771/4885
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 TDP1 156/4885TSHR 4610/4885MAPT 118/4885
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 TDP1 178/4885TSHR 3963/4885MAPT 150/4885
US-20070037788-A1 5-(3,8-Difluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-1-(1-ethyl-pyrrolidin-3-yl) -1,3-dihydro-benzoimidazol-2-one; antiinflammatory, antidiabetic agent; electrolytes and water retention modulator; hypotensive, hypoglycemic agent; arrhythmias, myocardial fibrosis, osteoporosis, polyuria, polydipsia SLC5A1, REN, AQP1 TDP1 2129/4885TSHR 1849/4885MAPT 4103/4885
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HIPK3, HIPK1, HIPK2 TDP1 291/4885TSHR 4088/4885MAPT 2835/4885

“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.