SCHEMBL7935547

SCHEMBL7935547

O=C(CS)Nc1cc(-c2ccccc2)[nH]n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
RET P07949 1/20 0.66
KDR P35968 1/20 0.66
NPY5R Q15761 3/20 0.62
ALPL P05186 1/20 0.62
ALPI P09923 1/20 0.62
MAPT P10636 1/20 0.60

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
SCHEMBL6584530 0.83 NPY5R (0.72) NPC1RAB9ARETKDRNPY5R
SCHEMBL7930564 0.82 CSNK2A2 (0.65) NPY5R
SCHEMBL6562826 0.80 NPC1 (1.00) NPC1RAB9ARETKDRNPY5R
SCHEMBL1663611 0.78 NPC1 (0.89) NPC1RAB9ARETKDRNPY5R
SCHEMBL7932771 0.77 MEN1 (0.55) RETMAPT
SCHEMBL6585868 0.77 NPY5R (1.00) NPC1RAB9ARETKDRNPY5R
SCHEMBL4264906 0.75 ALPL (0.78) NPC1RAB9ARETKDRNPY5R
SCHEMBL6566353 0.75 NPC1 (1.00) NPC1RAB9ANPY5RALPLALPI
Hydrochloric Acid SCHEMBL20569132 0.75 NPC1 (0.58) NPC1RAB9ARETKDRNPY5R
Hydrochloric Acid SCHEMBL20569135 0.75 NPC1 (0.58) NPC1RAB9ARETKDRNPY5R

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 NPC1 428/4885RAB9A 3098/4885RET 4620/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 NPC1 4147/4885RAB9A 1619/4885RET 4231/4885

“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.