SCHEMBL172700

SCHEMBL172700

Cc1ccc(-n2nnc3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ GAA P10253 2/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ SLC9A1 P19634 3/20 0.51
▸ RAB9A P51151 3/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ KCNMA1 Q12791 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TNKS O95271 1/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ MGAM O43451 1/20 0.48
▸ AMY1A P0DUB6 1/20 0.48
▸ SI P14410 1/20 0.48
▸ MGAM2 Q2M2H8 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ATM Q13315 1/20 0.46

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
SCHEMBL24046811 0.91 GAA (0.49) ALDH1A1GAASMN1; SMN2SLC9A1RAB9A
SCHEMBL12204565 0.90 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2SLC9A1RAB9AKEAP1
SCHEMBL15632082 0.85 SMN1; SMN2 (0.57) ALDH1A1GAASMN1; SMN2SLC9A1RAB9A
SCHEMBL165333 0.84 SMN1; SMN2 (0.71) ALDH1A1GAASMN1; SMN2SLC9A1RAB9A
SCHEMBL25008763 0.82 SMN1; SMN2 (0.48) ALDH1A1GAASMN1; SMN2SLC9A1RAB9A
SCHEMBL16614107 0.81 SMN1; SMN2 (0.58) ALDH1A1GAASMN1; SMN2SLC9A1RAB9A
SCHEMBL4799345 0.81 NPC1 (0.65) ALDH1A1SMN1; SMN2SLC9A1RAB9AKEAP1
SCHEMBL503004 0.81 KCNMA1 (0.59) ALDH1A1SMN1; SMN2SLC9A1RAB9AKEAP1
SCHEMBL10069688 0.81 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2SLC9A1RAB9AKEAP1
SCHEMBL3977744 0.81 TDP1 (0.56) ALDH1A1GAASMN1; SMN2SLC9A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115298616-A Composition for forming photosensitive insulating film 日产化学株式会社 2022-11-04 — — CN disclosed
EP-4006035-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Neupharma, Inc. (US) 2022-06-01 — — EP disclosed
EP-3831836-A1 CYCLOBUTYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2021-06-09 — — EP disclosed
EP-3421467-A1 5-PHENYLAZAINDOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT Shionogi & Co., Ltd (JP) 2019-01-02 — — EP disclosed
WO-2018129556-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2018-07-12 — — WO disclosed
EP-1742635-B1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES INC (US) 2018-03-07 — — EP disclosed
WO-2017117006-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-07-06 — — WO disclosed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 — — EP disclosed
EP-2428504-B1 Small molecule inhibitors of the pleckstrin homology domain and method for using same UNIV TEXAS (US) 2017-05-17 — — EP disclosed
US-9340549-B2 Oxazolidinone compounds and derivatives thereof AMGEN INC. (US) 2016-05-17 — — US disclosed
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. 2015-02-12 — — US disclosed
EP-1827678-B1 METHOD AND APPARATUS FOR PERFORMING MICRO-SCALE CHEMICAL REACTIONS TOTAL SYNTHESIS LTD (CA) 2012-07-18 — — EP disclosed
EP-1521125-B1 Electrophotographic photoconductor, electrophotographic method, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound RICOH CO LTD (JP) 2012-03-07 — — EP disclosed
EP-1002828-A2 Transparent construction sheet Petglass, S.L. (ES) 2000-05-24 — — 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 (1 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-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF TNKS1BP1, TNKS, TBKBP1 ALDH1A1 1646/4885GAA 264/4885SMN1; SMN2 3293/4885

“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.

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