SCHEMBL16319383

SCHEMBL16319383

OCc1cnc(Cl)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
POLB P06746 1/20 0.48
PLAU P00749 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
RHEB Q15382 1/20 0.45
LRRK2 Q5S007 1/20 0.44
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
ABCB1 P08183 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALPG P10696 1/20 0.43
PTK2B Q14289 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL11785650 0.81 HTT (0.54) NPC1RAB9APOLBRHEBSMN1; SMN2
SCHEMBL31322687 0.80 NPC1 (0.44) NPC1RAB9APOLBMRGPRX4LRRK2
SCHEMBL22332620 0.79 GCK (0.51) NPC1RAB9APLAUMRGPRX4RHEB
SCHEMBL30523230 0.79 GCK (0.49) RAB9APLAULRRK2LTA4HMAPK14
SCHEMBL2492632 0.79 GCK (0.49) RAB9APLAULRRK2LTA4HMAPK14
SCHEMBL31133124 0.79 HPGD (0.55) NPC1RAB9AMRGPRX4SMN1; SMN2HPGD
SCHEMBL31132733 0.79 HPGD (0.55) NPC1RAB9AMRGPRX4SMN1; SMN2HPGD
SCHEMBL559314 0.78 NPC1 (0.56) NPC1RAB9APOLBMRGPRX4RHEB
SCHEMBL15043883 0.77 MAOB (0.52) NPC1RAB9AMRGPRX4LRRK2SMN1; SMN2
SCHEMBL16319084 0.76 LRRK2 (0.39) NPC1RAB9APLAULRRK2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 NPC1 673/4885RAB9A 2993/4885POLB 4573/4885

“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.