SCHEMBL1816092

SCHEMBL1816092

CCc1cc(N)cnc1SCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.44
ICAM1 P05362 1/20 0.44
SELE P16581 1/20 0.44
VCAM1 P19320 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SCN9A Q15858 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL1819037 0.82 ALDH1A1 (0.46) PTPN11ICAM1SELEVCAM1SMN1; SMN2
SCHEMBL1818273 0.79 MEN1 (0.52) SMN1; SMN2ALDH1A1CYP2C9POLBPKM
SCHEMBL1818167 0.79 SMN1; SMN2 (0.45) PTPN11SMN1; SMN2NPC1RAB9ASCN9A
SCHEMBL1816057 0.79 SMN1; SMN2 (0.45) PTPN11SMN1; SMN2NPC1RAB9ASCN9A
SCHEMBL27002710 0.78 RAB9A (0.42) PTPN11SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1817318 0.78 RAB9A (0.42) PTPN11ICAM1SELEVCAM1SMN1; SMN2
SCHEMBL1815270 0.76 PKM (0.65) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL1818332 0.76 MAPT (0.48) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL1816752 0.75 NPC1 (0.42) PTPN11SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1819828 0.75 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1TSHR

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 PTPN11 1646/4885ICAM1 2343/4885SELE 467/4885

“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.