SCHEMBL7931748

SCHEMBL7931748

O=C(CS)Nc1ccc2[nH]c3ccccc3c(=O)c2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.82
MAOA P21397 1/20 0.59
TERT O14746 8/20 0.59
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
GAA P10253 3/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CASP6 P55212 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPY5R Q15761 1/20 0.53
PARP1 P09874 3/20 0.52
TNKS O95271 1/20 0.52
PARP15 Q460N3 1/20 0.52
PARP14 Q460N5 1/20 0.52
PARP10 Q53GL7 1/20 0.52

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
SCHEMBL10068096 0.85 P2RY12 (0.90) P2RY12MAOATERTKMT2AKDM4E
SCHEMBL24850282 0.82 P2RY12 (0.67) P2RY12MAOATERTKMT2AKDM4E
SCHEMBL5333828 0.77 P2RY12 (0.72) P2RY12TERTKDM4ECASP6ALDH1A1
SCHEMBL24833958 0.76 KMT2A (0.63) P2RY12MAOATERTKMT2AKDM4E
SCHEMBL19308466 0.76 P2RY12 (0.71) P2RY12TERTKMT2AKDM4EMTNR1A
SCHEMBL19308451 0.76 KDM4E (0.74) P2RY12MAOATERTKMT2AKDM4E
SCHEMBL5344753 0.76 P2RY12 (0.70) P2RY12TERT
SCHEMBL24851241 0.75 P2RY12 (0.62) P2RY12MAOATERTKMT2AKDM4E
SCHEMBL4726214 0.75 P2RY12 (0.73) P2RY12TERTKMT2AKDM4EMTNR1A
SCHEMBL4728731 0.75 CCKBR (0.65) P2RY12KMT2AKDM4EMTNR1AMTNR1B

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 P2RY12 4561/4885MAOA 368/4885TERT 776/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 P2RY12 863/4885MAOA 128/4885TERT 1328/4885

“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.