SCHEMBL716754

SCHEMBL716754

Cc1c(C(Cl)C2CCCCC2)sc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
ABCC1 P33527 1/20 0.34
KCNH2 Q12809 1/20 0.33
GPR3 P46089 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
ALOX5 P09917 1/20 0.32
PRNP P04156 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL720511 0.82 IDO1 (0.36) NPC1RAB9AALDH1A1MEN1POLB
SCHEMBL718405 0.79 MEN1 (0.34) NPC1RAB9AALDH1A1MEN1POLB
SCHEMBL719361 0.78 CSNK1D (0.34) MEN1KMT2AKCNH2
SCHEMBL717697 0.78 KIF11 (0.33) MEN1KMT2ALMNAKCNH2HTT
SCHEMBL4093915 0.72 GPR3 (0.44) RAB9AALDH1A1MEN1POLBMAPT
SCHEMBL720764 0.70 RCE1 (0.46) NPC1RAB9APOLBMAPTTP53
SCHEMBL12425595 0.70 GPR3 (0.46) NPC1RAB9AALDH1A1MEN1POLB
SCHEMBL717332 0.70 SLC6A2 (0.39) MAPTLMNAHPGDHTTALOX5
SCHEMBL3110402 0.69 CHEK1 (0.37) MAPTKMT2ALMNAHTTRXFP1
SCHEMBL718249 0.68 RCE1 (0.44) NPC1RAB9AMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP NPC1 902/4885RAB9A 2454/4885ALDH1A1 504/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP NPC1 902/4885RAB9A 2454/4885ALDH1A1 504/4885

“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.