SCHEMBL3202508

SCHEMBL3202508

O=[N+]([O-])c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.70
NPC1 O15118 7/20 0.70
MAPT P10636 5/20 0.70
MCL1 Q07820 1/20 0.70
ATM Q13315 1/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
ALDH1A1 P00352 2/20 0.66
MMP2 P08253 4/20 0.63
MMP9 P14780 4/20 0.63
MMP8 P22894 4/20 0.63
MMP13 P45452 4/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
PTPN2 P17706 5/20 0.57
PTPN1 P18031 5/20 0.57

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
SCHEMBL16894054 0.99 RAB9A (0.69) RAB9ANPC1MAPTMCL1ATM
SCHEMBL17199258 0.90 RAB9A (0.70) RAB9ANPC1MAPTMCL1ATM
SCHEMBL7908000 0.88 RAB9A (0.84) RAB9ANPC1MAPTMCL1ATM
SCHEMBL5378778 0.87 RAB9A (0.70) RAB9ANPC1MAPTMCL1ATM
SCHEMBL3206088 0.86 RAB9A (0.70) RAB9ANPC1MAPTMCL1ATM
SCHEMBL2244940 0.85 RAB9A (0.76) RAB9ANPC1MAPTMCL1ATM
SCHEMBL6683987 0.84 RAB9A (0.63) RAB9ANPC1MAPTMCL1ATM
SCHEMBL2243454 0.84 RAB9A (0.72) RAB9ANPC1MAPTMCL1ATM
SCHEMBL4088004 0.84 RAB9A (0.77) RAB9ANPC1MAPTMCL1ATM
SCHEMBL3194691 0.83 RAB9A (0.76) RAB9ANPC1MAPTMCL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233531-A1 USE OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS FOR TREATMENT OF INFLAMMATION UNIVERSITY OF HOUSTON SYSTEM 2023-07-27 US disclosed
EP-3133068-B1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2020-11-25 EP disclosed
US-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-09-25 US disclosed
EP-3133068-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2017-02-22 EP disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
CN-105636951-A Amide derivatives and pharmaceutically acceptable salts thereof, preparation method and medical application thereof Shanghai hengrui pharmaceutical co ltd 2016-06-01 CN disclosed
EP-1571142-B1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA (IT) 2012-09-12 EP disclosed
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed
CN-1930121-A Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER PROD INC (US) 2007-03-14 CN disclosed
EP-1725524-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Incorporated (US) 2006-11-29 EP disclosed
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 US disclosed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 US disclosed
WO-2005092845-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-10-06 WO disclosed
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA 2005-09-08 US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 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 (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-20230233531-A1 USE OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS FOR TREATMENT OF INFLAMMATION PTGES, PTGES2, PTGES3 RAB9A 4016/4885NPC1 1269/4885MAPT 810/4885
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 RAB9A 2198/4885NPC1 4082/4885MAPT 4542/4885
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD RAB9A 2271/4885NPC1 59/4885MAPT 1786/4885
US-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof PTGES, PTGS1, PTGIS RAB9A 2347/4885NPC1 1063/4885MAPT 3600/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 RAB9A 2198/4885NPC1 4082/4885MAPT 4542/4885
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARG, PPARA, PPARD RAB9A 2063/4885NPC1 74/4885MAPT 1984/4885
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS RAB9A 2347/4885NPC1 1063/4885MAPT 3600/4885

“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.