SCHEMBL18249786

SCHEMBL18249786

O=C(O)c1cccc(Cl)c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.66
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
RAF1 P04049 1/20 0.53
HPGD P15428 1/20 0.53
GFER P55789 1/20 0.53
PAX8 Q06710 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CDC25B P30305 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
NPC1 O15118 2/20 0.51
MITF O75030 2/20 0.51
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL18249860 0.88 VCAM1 (0.61) VCAM1ALDH1A1MAPTLMNAMAPK1
SCHEMBL18249868 0.88 VCAM1 (0.61) VCAM1ALDH1A1MAPTLMNAMAPK1
SCHEMBL1285789 0.86 VCAM1 (0.74) VCAM1ALDH1A1MAPTLMNAMAPK1
SCHEMBL18249808 0.84 VCAM1 (0.76) VCAM1ALDH1A1MAPTLMNAMAPK1
SCHEMBL18249777 0.82 VCAM1 (0.71) VCAM1ALDH1A1MAPTLMNAMAPK1
SCHEMBL8625278 0.81 VCAM1 (0.87) VCAM1ALDH1A1MAPTLMNAMAPK1
4-Chloro-3-Nitrobenzoic Acid SCHEMBL28165768 0.81 VCAM1 (0.74) VCAM1ALDH1A1MAPTLMNAMAPK1
SCHEMBL1258621 0.81 VCAM1 (1.00) VCAM1ALDH1A1MAPTLMNAMAPK1
SCHEMBL333018 0.80 VCAM1 (1.00) VCAM1ALDH1A1MAPTLMNAMAPK1
SCHEMBL7366041 0.80 VCAM1 (0.60) VCAM1ALDH1A1MAPTLMNAMAPK1

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 9 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-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-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.