SCHEMBL16633189

SCHEMBL16633189

OB(c1ccc2ncccc2c1)c1ccc2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
POLB P06746 2/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 6/20 0.53
MAPT P10636 4/20 0.53
HTT P42858 3/20 0.53
CASP1 P29466 2/20 0.53
ATM Q13315 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALOX15 P16050 1/20 0.46
PLK1 P53350 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL29952779 0.89 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL360458 0.89 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
Water SCHEMBL29954172 0.87 NPC1 (0.55) NPC1POLBRAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL29952307 0.87 NPC1 (0.55) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL17366281 0.85 ALDH1A1 (0.55) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL12488527 0.84 NPC1 (0.52) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL112289 0.74 ALDH1A1 (0.70) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL317300 0.73 ALDH1A1 (0.58) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL1811999 0.73 ALDH1A1 (0.54) NPC1POLBRAB9AALDH1A1MAPT
Quinoline SCHEMBL9277683 0.73 ALDH1A1 (0.81) NPC1POLBRAB9AALDH1A1MAPT

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
EP-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 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-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B NPC1 2230/4885POLB 1316/4885RAB9A 902/4885

“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.