SCHEMBL3366468

SCHEMBL3366468

O=[N+]([O-])c1ccc2ccc(Cl)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
HSD17B10 Q99714 1/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
LMNA P02545 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 1/20 0.45
NOS1 P29475 1/20 0.45
OPRK1 P41145 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
HPGD P15428 2/20 0.43
NFKB1 P19838 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL29659762 0.87 ALDH1A1 (0.51) MAPTHSD17B10TXNRD1TXNRD3TXNRD2
SCHEMBL516896 0.87 ALDH1A1 (0.51) MAPTHSD17B10TXNRD1TXNRD3TXNRD2
SCHEMBL7051529 0.81 TDP1 (0.50) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL28753879 0.79 MAPT (0.51) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL28046316 0.78 MAPT (0.50) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL30918562 0.78 MAPT (0.50) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL28046337 0.78 MAPT (0.50) MAPTTXNRD1TXNRD3TXNRD2LMNA
SCHEMBL30891041 0.77 ALDH1A1 (0.49) MAPTHSD17B10TXNRD1TXNRD3TXNRD2
SCHEMBL31439301 0.77 ALDH1A1 (0.54) MAPTHSD17B10TXNRD1TXNRD3TXNRD2
SCHEMBL620331 0.77 ALDH1A1 (0.49) MAPTHSD17B10TXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024132001-A1 MULTITARGET NUCLEAR RECEPTOR LIGANDS BASED ON 2-(4-(QUINOLIN-2-YLOXY)PHENOXY)PROPANOIC ACID AND 2-(4-(QUINOXALIN-2-YLOXY)PHENOXY)PROPANOIC ACID FOR THE TREATMENT OF METABOLIC AND LIVER DISEASES CHARLES UNIVERSITY, FACULTY OF PHARMACY IN HRADEC KRALOVE (CZ) 2024-06-27 WO disclosed
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
US-20230098872-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. 2023-03-30 US disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed
CN-110857304-B Trk inhibitor, preparation method and application thereof 北京富龙康泰生物技术有限公司 2021-05-18 CN disclosed
CN-110857304-A Trk inhibitor, preparation method and application thereof 北京富龙康泰生物技术有限公司 2020-03-03 CN disclosed
WO-2020021024-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF THE ARYL HYDROCARBON RECEPTOR (AHR) PHENEX PHARMACEUTICALS AG (DE) 2020-01-30 WO disclosed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 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 (2 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-20230098872-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 MAPT 506/4885HSD17B10 978/4885TXNRD1 115/4885
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK MAPT 4186/4885HSD17B10 2178/4885TXNRD1 1807/4885

“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.