SCHEMBL7929900

SCHEMBL7929900

COC(=O)c1cc(Br)ccc1NC(=O)CS

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
GAA P10253 1/20 0.59
POLB P06746 2/20 0.50
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
NR4A2 P43354 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
PSMD14 O00487 1/20 0.46
MMP2 P08253 1/20 0.46
DNMT1 P26358 1/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL29441245 0.87 ALDH1A1 (0.60) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL4604562 0.87 ALDH1A1 (0.60) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL16650906 0.87 ALDH1A1 (0.60) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL28327811 0.83 HPGD (0.58) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL7931410 0.82 RXFP1 (0.53) ALDH1A1GAAKMT2AKDM4ENR4A2
SCHEMBL8715955 0.82 POLB (0.76) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL3457070 0.82 ALDH1A1 (0.67) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL5899451 0.81 ALDH1A1 (0.67) ALDH1A1GAAPOLBKDM4ENR4A2
SCHEMBL15647913 0.81 ALDH1A1 (0.64) ALDH1A1GAAPOLBKMT2AKDM4E
SCHEMBL1796641 0.81 ALDH1A1 (0.57) ALDH1A1GAAPOLBKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 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 (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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 ALDH1A1 496/4885GAA 43/4885POLB 1320/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885GAA 112/4885POLB 3799/4885

“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.