SCHEMBL718462

SCHEMBL718462

Cc1c(C(Nc2ccc(C(=O)O)nc2)C2CCCCC2)oc2ccc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NR1H4 Q96RI1 1/20 0.39
HCRTR1 O43613 1/20 0.39
PPARG P37231 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
P4HTM Q9NXG6 4/20 0.39
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.37
DGAT1 O75907 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TEAD4 Q15561 1/20 0.36

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
SCHEMBL718578 0.91 NPC1 (0.47) NPC1RAB9AHCRTR1PPARGNCOR2
SCHEMBL721439 0.88 NPC1 (0.51) NPC1RAB9AHCRTR1PPARGNCOR2
SCHEMBL716695 0.87 GCGR (0.48) NPC1RAB9A
SCHEMBL717961 0.87 NPC1 (0.42) NPC1RAB9ADGAT1MAPTTDP1
SCHEMBL14905653 0.87 NPC1 (0.49) NPC1RAB9AHCRTR1PPARGNCOR2
SCHEMBL10284478 0.86 RAB9A (0.42) NPC1RAB9AHCRTR1PPARGNCOR2
SCHEMBL720080 0.84 NPC1 (0.47) NPC1RAB9ANR1H4ALDH1A1ATM
SCHEMBL719457 0.83 RAB9A (0.44) NPC1RAB9AKMT2A
SCHEMBL717908 0.82 RAB9A (0.39) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL718020 0.82 NPC1 (0.38) NPC1RAB9AALDH1A1MAPTKDM4E

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 2454/4885NR1H4 811/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP NPC1 902/4885RAB9A 2454/4885NR1H4 811/4885

“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.