SCHEMBL6799377

SCHEMBL6799377

O=[N+]([O-])c1cccc(-c2ccccc2F)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.68
RAB9A P51151 5/20 0.68
AKR1C3 P42330 2/20 0.56
AKR1C2 P52895 2/20 0.56
PTPRC P08575 1/20 0.54
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.48
TDP2 O95551 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
SCN2A Q99250 1/20 0.47

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
Isothiocyanate SCHEMBL29287688 0.91 NPC1 (0.59) NPC1RAB9AAKR1C3AKR1C2PTPRC
SCHEMBL30469290 0.83 AKR1C3 (0.60) NPC1RAB9AAKR1C3AKR1C2PTPRC
SCHEMBL20557366 0.83 AKR1C3 (0.60) NPC1RAB9AAKR1C3AKR1C2PTPRC
SCHEMBL8051514 0.81 ALDH1A1 (0.67) NPC1RAB9APTPRCLMNATSHR
SCHEMBL4056629 0.80 RAB9A (0.63) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL11691049 0.80 ALDH1A1 (0.51) NPC1RAB9APTPRCLMNAMAPT
SCHEMBL8711545 0.79 ALDH1A1 (0.60) NPC1RAB9APTPRCLMNATSHR
SCHEMBL30532372 0.79 AKR1C3 (0.57) NPC1RAB9AAKR1C3AKR1C2PTPRC
SCHEMBL5004567 0.79 ALDH1A1 (0.55) NPC1RAB9APTPRCLMNATSHR
SCHEMBL26127064 0.79 PTPRC (0.54) NPC1RAB9APTPRCLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109705097-A Indazole -3- carboxylic acid amides and its purposes as WNT/ β-CATENIN signal transduction pathway inhibitor 萨穆梅德有限公司 2019-05-03 CN disclosed
CN-105283443-B Hete rocyclic derivatives and application thereof 株式会社C&C新药研究所 2018-08-17 CN disclosed
CN-107980042-A As ROR gamma agonists and for treating aryl dihydro -2H- benzos [b] [1,4] oxazines sulfonamide and the related compound of disease 莱斯拉公司 2018-05-01 CN disclosed
CN-107231802-A Heterocyclic derivatives and use thereof 株式会社C&C新药研究所 2017-10-03 CN disclosed
CN-104219954-B Benzamide derivatives 翻译基因组学研究院 2017-03-22 CN disclosed
CN-103958500-B Kinases inhibitor ORION CORP. (FI) 2016-04-27 CN disclosed
CN-105283443-A Heterocyclic derivatives and use thereof C & C RES LAB 2016-01-27 CN disclosed
CN-103402996-B Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2015-02-11 CN disclosed
CN-104219954-A Benzamide derivatives TRANSLATIONAL GENOMICS RES INST 2014-12-17 CN disclosed
CN-103965134-A N, S-containing heterocyclic compound with nematicidal activity, preparation method and application thereof UNIV EAST CHINA SCIENCE & TECH 2014-08-06 CN disclosed
CN-103929963-A Indazole-3-carboxamides and their use as WNT/beta-CATENIN signaling pathway inhibitors SAMUMED LLC 2014-07-16 CN disclosed
CN-1303043-C Process for producing biaryl compound SUMITOMO CHEMICAL CO (JP) 2007-03-07 CN disclosed
CN-1642879-A Process for preparing diaryl compounds SUMITOMO CHEMICAL CO (JP) 2005-07-20 CN disclosed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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 (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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 NPC1 875/4885RAB9A 1092/4885AKR1C3 438/4885

“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.