SCHEMBL4065345

SCHEMBL4065345

O=[N+]([O-])c1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.62
ALDH1A1 P00352 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
CASP7 P55210 1/20 0.62
KIF11 P52732 1/20 0.62
AKR1B1 P15121 2/20 0.60
AKR1C4 P17516 2/20 0.60
AKR1C3 P42330 2/20 0.60
AKR1C2 P52895 2/20 0.60
AKR1C1 Q04828 2/20 0.60
GAA P10253 2/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MPO P05164 1/20 0.57
FBP1 P09467 1/20 0.56
RXFP1 Q9HBX9 4/20 0.54
EPAS1 Q99814 3/20 0.54
ARNT P27540 1/20 0.54

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
SCHEMBL2646781 0.91 AKR1B1 (0.70) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL4605709 0.89 MAPK1 (0.59) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL7167600 0.85 TDP1 (0.79) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL8559386 0.84 AKR1B1 (0.77) MAPK1ALDH1A1L3MBTL1KIF11AKR1B1
SCHEMBL25782133 0.84 MAPK1 (0.68) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL29824482 0.84 MAPK1 (0.68) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL21959051 0.83 AKR1C3 (0.56) MAPK1ALDH1A1L3MBTL1KIF11AKR1B1
SCHEMBL26468007 0.83 TDP1 (0.77) MAPK1ALDH1A1TDP1L3MBTL1CASP7
SCHEMBL21856334 0.81 MAPK1 (0.61) MAPK1ALDH1A1L3MBTL1KIF11AKR1B1
SCHEMBL6655634 0.81 AKR1B1 (0.56) MAPK1ALDH1A1TDP1L3MBTL1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 US disclosed
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 CN disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed
US-4510141-A (1,2,4) TRIAZOLO(1,5-A) QUINOXALINE OR PYRIDO(2,3-E)(U,2,4)TRIAZOLO(1,5-A)PYRAZINE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1985-04-09 US disclosed
EP-0074929-A1 Polycyclic polyazaheterocycles, process for their preparation and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1983-03-23 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 (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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 MAPK1 1634/4885ALDH1A1 687/4885TDP1 367/4885
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 MAPK1 3029/4885ALDH1A1 2662/4885TDP1 743/4885

“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.