SCHEMBL641565

SCHEMBL641565

N=C(Cc1ccc(F)cc1)NO

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
IDO1 P14902 3/20 0.44
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
EGFR P00533 3/20 0.41
ERBB2 P04626 3/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTBP2 P56545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL13270644 0.81 TAAR1 (0.45) GAAIDO1PLA2G1BATG4BEGFR
SCHEMBL1965925 0.80 IDO1 (0.45) IDO1EGFRERBB2SMN1; SMN2LMNA
SCHEMBL838150 0.80 CA2 (0.46) IDO1ALDH1A1RAB9ACTBP2LMNA
SCHEMBL834044 0.78 MEN1 (0.36) IDO1KMT2A
SCHEMBL1580990 0.78 IDO1 (0.44) GAAIDO1EGFRERBB2ALDH1A1
SCHEMBL23586287 0.78 ALDH1A1 (0.42) IDO1ALDH1A1TDP1KMT2ALOXL2
SCHEMBL480288 0.78 CYP3A4 (0.35) IDO1KMT2A
SCHEMBL641405 0.78 IDO1 (0.44) IDO1EGFRERBB2ALDH1A1RAB9A
SCHEMBL836580 0.78 MAPK8 (0.39) IDO1ALDH1A1HTT
SCHEMBL562722 0.78 HDAC1 (0.54) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115943138-A Compositions comprising GARDOS channel antagonists and uses thereof 阿迪玛生物有限责任公司 2023-04-07 CN claimed
US-20250099478-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-03-27 US disclosed
CN-118613483-A Plasma kallikrein inhibitors 默沙东有限责任公司 2024-09-06 CN disclosed
CN-118354759-A Compositions comprising 2' -deoxycytidine analogs and their use for treating sickle cell disease, thalassemia and cancer 阿基拉比奥有限公司 2024-07-16 CN disclosed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 US disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 US disclosed
CN-107108638-A Piperidyl PyrazolopyrimidinonecGMP and application thereof 拜耳制药股份公司 2017-08-29 CN disclosed
CN-105189511-B Inhibitors of human immunodeficiency virus replication 百时美施贵宝公司 2017-05-24 CN disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 US disclosed
US-9580431-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-02-28 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
CN-101282976-A Xanthine derivatives as selective HM74A agonists SMITHKLINE BEECHAM CORP (US) 2008-10-08 CN disclosed
CN-101282977-A Xanthine derivatives as selective hm74a agonists SMITHKLINE BEECHAM CORP (US) 2008-10-08 CN disclosed
CN-101218231-A Novel heterocyclic compounds as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2008-07-09 CN disclosed
EP-1896464-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2008-03-12 EP disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 WO disclosed
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 CN disclosed
WO-2006129199-A1 NOVEL HETEROCYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-12-07 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 (6 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-10562869-B2 Oxadiazole compounds OXA1L, PSEN1, MAPT GAA 310/4885IDO1 721/4885PLA2G1B 4322/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT GAA 426/4885IDO1 821/4885PLA2G1B 4345/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT GAA 310/4885IDO1 721/4885PLA2G1B 4322/4885
US-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 GAA 225/4885IDO1 1751/4885PLA2G1B 4009/4885
US-20250099478-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 GAA 1190/4885IDO1 1195/4885PLA2G1B 563/4885
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST GAA 76/4885IDO1 3672/4885PLA2G1B 2881/4885

“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.