SCHEMBL12434682

SCHEMBL12434682

CC(=O)c1c(-c2nc3ccccc3[nH]2)csc1NC(=O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
PDPK1 O15530 1/20 0.52
MTOR P42345 1/20 0.51
MAPT P10636 3/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP13 P45452 2/20 0.45
COMT P21964 1/20 0.45
FOXO1 Q12778 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 2/20 0.44
PDE10A Q9Y233 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL2181392 0.91 RAB9A (0.58) NPC1RAB9APDPK1MTORMAPT
SCHEMBL15480695 0.77 NPC1 (0.62) NPC1RAB9APDPK1MTORMAPT
SCHEMBL15241644 0.77 NPC1 (0.62) NPC1RAB9APDPK1MTORMAPT
SCHEMBL2179504 0.76 RAB9A (0.45) NPC1RAB9APDPK1MTORMAPT
SCHEMBL3251954 0.76 MTOR (0.48) NPC1RAB9APDPK1MTORMAPT
SCHEMBL12434677 0.75 RAB9A (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL27202547 0.74 MMP2 (0.76) NPC1RAB9APDPK1MAPTMMP2
SCHEMBL2179507 0.74 PDPK1 (0.44) NPC1RAB9APDPK1MTORMAPT
SCHEMBL12414403 0.73 BRD4 (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL22488981 0.72 NPC1 (0.64) NPC1RAB9APDPK1MTORMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 US 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 (1 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-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885PDPK1 309/4885

“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.