SCHEMBL716783

SCHEMBL716783

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(OC)cc3c2C#N)C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
TSHR P16473 4/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL720117 0.92 KMT2A (0.38) KMT2APOLBNPC1RAB9ATP53
SCHEMBL716683 0.91 NPC1 (0.43) KMT2ATSHRPOLBNPC1RAB9A
SCHEMBL3403651 0.89 TSHR (0.39) KMT2ATSHRPOLBNPC1RAB9A
SCHEMBL717996 0.88 TSHR (0.38) KMT2ATSHRPOLBNPC1RAB9A
SCHEMBL718588 0.87 MEN1 (0.43) KMT2ATSHRPOLBNPC1RAB9A
SCHEMBL719119 0.85 KMT2A (0.33) KMT2ATSHRPOLBTP53KDM4E
SCHEMBL720141 0.83 KMT2A (0.32) KMT2ATSHRPOLBTP53KDM4E
SCHEMBL716841 0.83 KDM4E (0.37) KMT2ATSHRPOLBNPC1RAB9A
SCHEMBL719915 0.83 NPC1 (0.45) KMT2APOLBNPC1RAB9ATP53
SCHEMBL720539 0.83 MAPT (0.36) KMT2ATSHRPOLBNPC1RAB9A

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 KMT2A 1298/4885TSHR 1555/4885POLB 4719/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KMT2A 1298/4885TSHR 1555/4885POLB 4719/4885

“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.