SCHEMBL187354

SCHEMBL187354

COc1ccc(C)nc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.64
RAB9A P51151 6/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
S1PR4 O95977 11/20 0.62
MAPT P10636 5/20 0.56
LMNA P02545 3/20 0.55
HPGD P15428 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL8790468 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL10562972 0.81 MAPT (0.46) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL7011056 0.81 NPC1 (0.67) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL2986307 0.80 MAPT (0.46) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL31358001 0.80 MAPT (0.46) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL23421449 0.79 MAPT (0.47) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL4763882 0.77 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL3900697 0.76 PDGFRA (0.53) NPC1RAB9ASMN1; SMN2S1PR4
SCHEMBL799663 0.76 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2S1PR4MAPT
SCHEMBL10779236 0.76 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2S1PR4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689652-B Fused heterocyclic derivative, preparation method and medical application thereof 北京诺诚健华医药科技有限公司 2022-04-26 CN disclosed
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-06-29 US disclosed
EP-3505517-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2019-07-03 EP disclosed
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-06-20 US disclosed
EP-2582675-B1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS CHANGZHOU LE SUN PHARMACEUTICALS LTD (CN) 2016-06-08 EP disclosed
EP-2582675-B1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS CHANGZHOU LE SUN PHARMACEUTICALS LTD (CN) 2016-06-08 EP disclosed
US-9346822-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-9346822-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
WO-2003007945-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-01-30 WO disclosed
US-6479508-B1 INHIBITOR OF RNA DEPENDENT RNA POLYMERASE ACTIVITY OF THE ENZYME NS5B ENCODED BY HEPATITIS C VIRUS FOR TREATMENT AND PREVENTION OF HEPATITIS C INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-11-12 US disclosed
US-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 US disclosed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 WO disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 WO disclosed
EP-1069112-A1 N-(PHENYLSULFONYL) PICOLINAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-01-17 EP disclosed
US-4812454-A Nitromethylene derivatives and their use as insecticides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-03-14 US disclosed
US-4772620-A MITICIDES, PARASITICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-20 US disclosed
EP-0212600-A2 Nitromethylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1987-03-04 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 (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-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, INMT NPC1 3013/4885RAB9A 2349/4885SMN1; SMN2 3030/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 NPC1 53/4885RAB9A 3576/4885SMN1; SMN2 4386/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT NPC1 3013/4885RAB9A 2349/4885SMN1; SMN2 3030/4885

“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.