SCHEMBL7935548

SCHEMBL7935548

COC(=O)c1ccc(Cl)cc1NC(=O)CS

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
ALDH1A1 P00352 8/20 0.55
MEN1 O00255 7/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
ABL1 P00519 1/20 0.53
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 1/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49

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
SCHEMBL7931410 0.88 RXFP1 (0.53) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL7467356 0.87 KMT2A (0.56) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL6510276 0.85 KMT2A (0.68) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL4733777 0.85 KMT2A (0.55) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL7933609 0.84 ALDH1A1 (0.70) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL4784357 0.83 ALDH1A1 (0.54) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL11775995 0.83 ALDH1A1 (0.58) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL31058534 0.83 ALDH1A1 (0.58) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL5928755 0.81 ABL1 (0.58) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL8921142 0.81 MEN1 (0.58) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2

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 KMT2A 799/4885ALDH1A1 496/4885MEN1 938/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KMT2A 3093/4885ALDH1A1 2213/4885MEN1 1392/4885

“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.