SCHEMBL720067

SCHEMBL720067

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(OCC3CCCO3)cc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 11/20 0.43
NPC1 O15118 9/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.40
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
MCHR1 Q99705 1/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL716541 0.94 RAB9A (0.42) TDP1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL719915 0.88 NPC1 (0.45) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL720498 0.87 CASP3 (0.40) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL718240 0.87 NPC1 (0.40) TDP1RAB9ANPC1LMNAMAPT
SCHEMBL718650 0.86 NPC1 (0.35) TDP1RAB9ANPC1TP53ALDH1A1
SCHEMBL717554 0.86 NPC1 (0.34) TDP1RAB9ANPC1TP53ALDH1A1
SCHEMBL10249389 0.86 NPC1 (0.38) RAB9ANPC1MCHR1TP53ALDH1A1
SCHEMBL721186 0.85 NPC1 (0.35) RAB9ANPC1CASP3SENP7TP53
SCHEMBL3397947 0.85 NPC1 (0.37) RAB9ANPC1MCHR1TP53ALDH1A1
SCHEMBL718268 0.85 PRSS1 (0.36) RAB9ANPC1MAPTTP53

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 TDP1 4750/4885RAB9A 2454/4885NPC1 902/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP TDP1 4750/4885RAB9A 2454/4885NPC1 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.