SCHEMBL720645

SCHEMBL720645

CCOC(=O)CCNC(=O)c1ccc(NC(c2oc3ccc(F)cc3c2C)C2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GCG P01275 13/20 0.42
CHRM1 P11229 1/20 0.38
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL719302 0.93 MEN1 (0.47) MEN1KMT2ANPC1RAB9AGCG
SCHEMBL719578 0.91 MEN1 (0.48) MEN1KMT2ANPC1RAB9AGCG
SCHEMBL721727 0.90 NPC1 (0.47) NPC1RAB9AGCG
SCHEMBL717820 0.90 MEN1 (0.46) MEN1KMT2ANPC1RAB9AGCG
SCHEMBL721199 0.90 NPC1 (0.48) NPC1RAB9AGCG
SCHEMBL719457 0.89 RAB9A (0.44) MEN1KMT2ANPC1RAB9AGCG
SCHEMBL718443 0.88 MEN1 (0.46) MEN1KMT2ANPC1RAB9AGCG
SCHEMBL719151 0.88 MEN1 (0.45) MEN1KMT2ANPC1RAB9AGCG
SCHEMBL718723 0.88 MEN1 (0.44) MEN1KMT2ANPC1RAB9AGCG
SCHEMBL718361 0.86 MEN1 (0.44) MEN1KMT2ANPC1RAB9AGCG

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 8 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-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 MEN1 444/4885KMT2A 1298/4885NPC1 902/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MEN1 444/4885KMT2A 1298/4885NPC1 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.