SCHEMBL719677

SCHEMBL719677

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(OC3CCS(=O)(=O)CC3)cc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
FFAR1 O14842 3/20 0.34
KMT2A Q03164 3/20 0.33
TP53 P04637 1/20 0.33
DRD4 P21917 1/20 0.32
ADRA1D P25100 1/20 0.32
DRD3 P35462 1/20 0.32
POLB P06746 2/20 0.32
ACSL1 P33121 1/20 0.32
TEAD4 Q15561 1/20 0.32
MAPT P10636 1/20 0.32
MITF O75030 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL719676 0.94 NPC1 (0.34) NPC1RAB9AKMT2ATP53POLB
SCHEMBL718268 0.91 PRSS1 (0.36) NPC1RAB9AKMT2ATP53POLB
SCHEMBL721733 0.91 KMT2A (0.35) NPC1RAB9AKMT2ATP53POLB
SCHEMBL719915 0.88 NPC1 (0.45) NPC1RAB9AKMT2ATP53POLB
SCHEMBL716539 0.87 KMT2A (0.34) NPC1RAB9AKMT2ATP53POLB
SCHEMBL720639 0.86 TEAD4 (0.37) NPC1RAB9AKMT2ATP53POLB
SCHEMBL718240 0.85 NPC1 (0.40) NPC1RAB9AKMT2ATP53POLB
SCHEMBL720498 0.85 CASP3 (0.40) NPC1RAB9AKMT2ATEAD4MAPT
SCHEMBL720539 0.85 MAPT (0.36) NPC1RAB9AKMT2ATP53POLB
SCHEMBL718650 0.84 NPC1 (0.35) NPC1RAB9AKMT2ATP53POLB

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 10 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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
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-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 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
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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 2454/4885FFAR1 2575/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP NPC1 902/4885RAB9A 2454/4885FFAR1 2575/4885

“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.