SCHEMBL7937682

SCHEMBL7937682

N#Cc1cc(Cl)ccc1NC(=O)CS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
POLB P06746 2/20 0.45
KDM4E B2RXH2 5/20 0.44
GAA P10253 4/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLA P06280 1/20 0.43
MAPT P10636 2/20 0.43
APAF1 O14727 1/20 0.43
HPGD P15428 2/20 0.42
ATM Q13315 1/20 0.42
PPARG P37231 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL12354957 0.88 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL1016756 0.85 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7930580 0.82 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4293229 0.81 KDM4E (0.48) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL6177644 0.80 KDM4E (0.57) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL1798542 0.79 KDM4E (0.51) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7931737 0.79 HPGD (0.60) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL404789 0.77 HPGD (0.47) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL1015889 0.77 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL7932534 0.76 CA1 (0.50) ALDH1A1MEN1KMT2APOLBGAA

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 4 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
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 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 496/4885MEN1 938/4885KMT2A 799/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885MEN1 1392/4885KMT2A 3093/4885

“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.