SCHEMBL538523

SCHEMBL538523

CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPK10 P53779 1/20 0.47
MAPT P10636 10/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAOB P27338 1/20 0.46
MAPK1 P28482 2/20 0.46
ELANE P08246 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL538189 0.91 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AMAPK10MAPT
SCHEMBL538711 0.87 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL1367417 0.83 MEN1 (0.65) SMN1; SMN2MEN1KMT2AMAPK10MAPT
SCHEMBL1467189 0.83 MAPK1 (0.63) SMN1; SMN2MEN1KMT2AMAPK10MAPT
SCHEMBL27720570 0.82 MAPT (0.54) SMN1; SMN2MEN1KMT2AMAPK10MAPT
SCHEMBL538232 0.81 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL3881231 0.81 MEN1 (0.53) SMN1; SMN2MEN1KMT2AMAPK10MAPT
SCHEMBL30900720 0.81 NMT2 (0.60) SMN1; SMN2MEN1KMT2AMAPK10MAPT
SCHEMBL538191 0.81 NMT2 (0.60) SMN1; SMN2MEN1KMT2AMAPK10MAPT
SCHEMBL401916 0.81 MAPK1 (0.65) SMN1; SMN2MEN1KMT2AMAPK10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598159-B2 Therapeutic pyrazoloquinoline derivatives DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-12-03 US disclosed
EP-2166852-B1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS INC (US) 2012-02-08 EP disclosed
EP-2166852-B1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS INC (US) 2012-02-08 EP disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 US disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 US disclosed
US-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2011-03-17 US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 US disclosed
US-7872002-B2 Therapeutic pyrazoloquinoline derivatives HELICON THERAPEUTICS, INC. (US) 2011-01-18 US disclosed
WO-2008154438-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES HELICON THERAPEUTICS, INC. (US) 2008-12-18 WO disclosed
CN-1337962-A Acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors AMERICAN CYANAMID CO (US) 2002-02-27 CN disclosed
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors WYETH HOLDINGS CORPORATION 2001-11-29 US disclosed
EP-1157024-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-11-28 EP disclosed
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors WYETH HOLDINGS CORPORATION 2001-09-27 US disclosed
US-6228869-B1 ANTITUMOR, ANTIMETASTASIS, ANTIARTHRITIC, AND WOUND HEALING AGENTS; QUINOLINE AND ISOQUINOLINE DERIVATIVES AMERICAN CYANAMID COMPANY 2001-05-08 US disclosed
CN-1280568-A Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN CYANAMID CO (US) 2001-01-17 CN disclosed
WO-2000044749-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
EP-1021413-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS American Cyanamid Company (US) 2000-07-26 EP disclosed
WO-1999018076-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-04-15 WO disclosed
WO-1998016514-A1 ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1998-04-23 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 (3 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-20110065693-A1 THERAPEUTIC PYRAZOLOQUINOLINE DERIVATIVES GABRA5, GABRB1, GABRB2 SMN1; SMN2 2752/4885MEN1 3172/4885KMT2A 2970/4885
US-20010025047-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and tace inhibitors MSR1, TIMP3, TGFBR2 SMN1; SMN2 3228/4885MEN1 4366/4885KMT2A 3333/4885
US-20010046989-A1 Preparation and use of ortho-sulfonamido bicyclic heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors MSR1, TIMP3, TGFBR2 SMN1; SMN2 3126/4885MEN1 4394/4885KMT2A 3415/4885

“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.