SCHEMBL1467263

SCHEMBL1467263

O=C(O)c1c(F)ccc(F)c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.68
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
MAPK1 P28482 3/20 0.54
LMNA P02545 2/20 0.54
RAF1 P04049 1/20 0.54
HPGD P15428 1/20 0.54
GFER P55789 1/20 0.54
PAX8 Q06710 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CASP6 P55212 1/20 0.46
POLB P06746 1/20 0.46
BCL2L1 Q07817 1/20 0.46

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
SCHEMBL18249808 0.85 VCAM1 (0.76) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL9307787 0.85 VCAM1 (0.81) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL4604303 0.85 VCAM1 (0.81) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL18249860 0.84 VCAM1 (0.61) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL18249793 0.82 VCAM1 (0.66) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL1258621 0.82 VCAM1 (1.00) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL8625340 0.80 VCAM1 (0.96) VCAM1ALDH1A1MAPTMAPK1LMNA
4-Chloro-3-Nitrobenzoic Acid SCHEMBL6101 0.80 VCAM1 (0.77) VCAM1ALDH1A1MAPTMAPK1LMNA
4-Chloro-3-Nitrobenzoic Acid SCHEMBL30234086 0.80 VCAM1 (0.77) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL9524519 0.80 VCAM1 (0.81) VCAM1ALDH1A1MAPTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298005-B1 ANTI-CANCER COMPOUNDS UNIV CALIFORNIA (US) 2024-01-24 EP disclosed
US-11708352-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-25 US disclosed
US-20220267307-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-08-25 US disclosed
US-11149025-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-19 US disclosed
US-20210009562-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-14 US disclosed
US-10562886-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-02-18 US disclosed
US-20180354932-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-12-13 US disclosed
EP-3298005-A2 ANTI-CANCER COMPOUNDS The Regents of The University of California (US) 2018-03-28 EP disclosed
WO-2016187620-A2 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-24 WO disclosed
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 US disclosed
US-20110071145-A1 Raf Modulators And Methods Of Use EXELIXIS, INC. (US) 2011-03-24 US disclosed
US-7846959-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2010-12-07 US disclosed
US-20080009488-A1 Raf Modulators and Methods of Use EXELIXIS, INC. (US) 2008-01-10 US disclosed
EP-1751124-A2 RAF MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005112932-A2 RAF MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-01 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 (8 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-10562886-B2 Anti-cancer compounds TP53, VHL, BAD VCAM1 2530/4885ALDH1A1 793/4885MAPT 2150/4885
US-20080009488-A1 Raf Modulators and Methods of Use BRAF, RAF1, ARAF VCAM1 425/4885ALDH1A1 2799/4885MAPT 3802/4885
US-20180354932-A1 ANTI-CANCER COMPOUNDS TP53, VHL, BAD VCAM1 2530/4885ALDH1A1 793/4885MAPT 2150/4885
US-20210009562-A1 ANTI-CANCER COMPOUNDS TP53, VHL, BAD VCAM1 2530/4885ALDH1A1 793/4885MAPT 2150/4885
US-11708352-B2 Anti-cancer compounds TP53, VHL, BAD VCAM1 2530/4885ALDH1A1 793/4885MAPT 2150/4885
US-20220267307-A1 ANTI-CANCER COMPOUNDS TP53, VHL, BAD VCAM1 2530/4885ALDH1A1 793/4885MAPT 2150/4885
US-20110071145-A1 Raf Modulators And Methods Of Use BRAF, RAF1, ARAF VCAM1 669/4885ALDH1A1 2219/4885MAPT 4711/4885
US-11149025-B2 Anti-cancer compounds TP53, VHL, BAD VCAM1 2530/4885ALDH1A1 793/4885MAPT 2150/4885

“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.