SCHEMBL1816752

SCHEMBL1816752

Nc1cnc(SCc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 3/20 0.39
PIN1 Q13526 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDC7 O00311 4/20 0.39
DBF4 Q9UBU7 4/20 0.39
PTPN11 Q06124 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.38
CYP2C9 P11712 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
MPO P05164 1/20 0.37

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
SCHEMBL1818074 0.79 MEN1 (0.50) SMN1; SMN2POLBALDH1A1HTTCDC7
SCHEMBL1818167 0.78 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2POLBPIN1
SCHEMBL1816057 0.78 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2POLBPIN1
SCHEMBL1819037 0.78 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2POLBPIN1
SCHEMBL1816092 0.75 PTPN11 (0.44) NPC1RAB9ASMN1; SMN2POLBPIN1
SCHEMBL6195410 0.75 POLB (0.50) NPC1RAB9ASMN1; SMN2POLBPKM
SCHEMBL27002710 0.74 RAB9A (0.42) NPC1RAB9ASMN1; SMN2POLBPIN1
SCHEMBL1819828 0.74 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL1817318 0.74 RAB9A (0.42) NPC1RAB9ASMN1; SMN2POLBPIN1
SCHEMBL7901310 0.74 KMT2A (0.60) ALDH1A1HTTNPSR1PKMGLA

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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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 (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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD NPC1 1272/4885RAB9A 628/4885SMN1; SMN2 4069/4885

“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.