SCHEMBL7932534

SCHEMBL7932534

O=C(CS)Nc1ccc(Cl)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ CXCR2 P25025 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HPGD P15428 2/20 0.43
▸ USP2 O75604 1/20 0.43

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
SCHEMBL25358934 0.85 ALDH1A1 (0.53) CA1CA2CA12CA9MEN1
SCHEMBL1708569 0.83 MEN1 (0.60) CA1CA2CA12CA9MEN1
SCHEMBL7931737 0.83 HPGD (0.60) MEN1KMT2APOLBMAPTGAA
SCHEMBL7934469 0.79 POLB (0.77) MEN1KMT2APOLBMAPTGAA
SCHEMBL2554878 0.79 RAB9A (0.54) CA1CA2CA12CA9MEN1
SCHEMBL7934018 0.79 POLB (0.47) MEN1KMT2APOLBMAPTGAA
SCHEMBL11641256 0.78 CA1 (0.49) CA1CA2CA12CA9MEN1
SCHEMBL1197038 0.77 KDM4E (0.62) CA1CA2CA12CA9MEN1
SCHEMBL14202808 0.77 POLB (0.69) MEN1KMT2APOLBMAPTGAA
SCHEMBL7937677 0.77 MAPK1 (0.55) MEN1KMT2AMAPTGAAALDH1A1

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 CA1 291/4885CA2 495/4885CA12 268/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 CA1 566/4885CA2 203/4885CA12 342/4885

“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.

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