SCHEMBL718863

SCHEMBL718863

COC(=O)c1ccc(NC(CC(C)C)c2oc3ccccc3c2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL717732 0.89 CA12 (0.52) TNKSNPC1RAB9ASMN1; SMN2CA1
SCHEMBL719499 0.84 MAPT (0.45) TNKSMAPTL3MBTL1NPC1RAB9A
SCHEMBL718376 0.81 GCG (0.39) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL722249 0.76 MAPT (0.43) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL720711 0.75 CA12 (0.49) MAPTL3MBTL1SMN1; SMN2CA1CA2
SCHEMBL716872 0.74 MCL1 (0.47) NPC1RAB9ACA1CA2MEN1
SCHEMBL23680776 0.73 MEN1 (0.53) MAPTNPC1RAB9ASMN1; SMN2CA1
SCHEMBL720202 0.71 KMT2A (0.46) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL719177 0.71 KMT2A (0.47) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL721304 0.70 MAPT (0.45) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2

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 TNKS 4536/4885MAPT 4533/4885L3MBTL1 4088/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP TNKS 4536/4885MAPT 4533/4885L3MBTL1 4088/4885

“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.