SCHEMBL7934018

SCHEMBL7934018

O=C(CS)Nc1ccc(Cl)cc1CO

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NHERF1 O14745 2/20 0.44
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL14801910 0.84 POLB (0.47) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL7931737 0.81 HPGD (0.60) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL7931436 0.81 KMT2A (0.51) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL2890443 0.80 KDM4E (0.58) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL7932534 0.79 CA1 (0.50) POLBMEN1KMT2ARAB9AUSP2
SCHEMBL7934469 0.78 POLB (0.77) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL7929912 0.76 ALDH1A1 (0.65) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL7936652 0.75 MEN1 (0.53) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL14202808 0.75 POLB (0.69) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL12609252 0.75 RAB9A (0.62) NPC1RAB9AMAPTKDM4EALDH1A1

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 POLB 1320/4885MEN1 938/4885KMT2A 799/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 POLB 3799/4885MEN1 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.