SCHEMBL7935337

SCHEMBL7935337

O=C(CS)NCc1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6361128 0.88 P2RX7 (0.64) P2RX7NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL7933993 0.86 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6293582 0.85 P2RX7 (0.54) P2RX7NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL4378400 0.85 P2RX7 (0.54) P2RX7NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL6293580 0.85 P2RX7 (0.54) P2RX7NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5067379 0.83 P2RX7 (0.56) P2RX7NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5798126 0.83 NPC1 (0.53) P2RX7NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL11704890 0.80 NPC1 (0.47) NPC1RAB9ANPSR1MEN1KMT2A
SCHEMBL8380160 0.79 NPC1 (0.53) P2RX7NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL12944004 0.79 P2RX7 (0.53) P2RX7NPC1RAB9ASMN1; SMN2NPSR1

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 3628/4885NPC1 428/4885RAB9A 3098/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 P2RX7 969/4885NPC1 4147/4885RAB9A 1619/4885

“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.