SCHEMBL7934893

SCHEMBL7934893

O=C(CS)NCc1cc(Cl)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.53
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ERCC1 P07992 4/20 0.47
ERCC4 Q92889 4/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
F2 P00734 1/20 0.44
CNR1 P21554 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1143378 0.87 ALDH1A1 (0.62) P2RX7ALDH1A1ERCC1ERCC4NPC1
SCHEMBL4246819 0.85 P2RX7 (0.54) P2RX7ALDH1A1MEN1KMT2AERCC1
SCHEMBL4074085 0.83 HTT (0.55) P2RX7ALDH1A1MEN1KMT2AERCC1
SCHEMBL5797584 0.83 P2RX7 (0.49) P2RX7ALDH1A1MEN1KMT2AERCC1
SCHEMBL3557506 0.81 P2RX7 (0.53) P2RX7ALDH1A1MEN1KMT2AERCC1
SCHEMBL7934896 0.81 ERCC1 (0.57) P2RX7ALDH1A1ERCC1ERCC4NPC1
SCHEMBL7934258 0.80 P2RX7 (0.52) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL7933993 0.79 NPC1 (0.68) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL626586 0.79 CYP2C9 (0.58) P2RX7ALDH1A1MEN1KMT2AERCC1
SCHEMBL4074083 0.78 SMN1; SMN2 (0.52) P2RX7ALDH1A1KMT2ARAB9APOLB

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 P2RX7 3628/4885ALDH1A1 496/4885MEN1 938/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 P2RX7 969/4885ALDH1A1 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.