SCHEMBL719984

SCHEMBL719984

COCc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
MAPK1 P28482 1/20 0.41
DGAT1 O75907 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXRA P19793 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
TEAD1 P28347 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40

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
SCHEMBL719452 0.87 L3MBTL1 (0.58) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL717862 0.84 ALDH1A1 (0.48) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL717852 0.82 MAPT (0.64) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL717944 0.81 MEN1 (0.42) L3MBTL1MEN1KMT2AKDM4ETDP1
SCHEMBL720432 0.77 L3MBTL1 (0.58) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL718353 0.77 KMT2A (0.52) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL717912 0.77 MAPT (0.45) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL23928575 0.74 CA12 (0.66) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL718931 0.74 CA12 (0.51) ALDH1A1MAPTCA12CA9MAPK1
SCHEMBL718902 0.73 MAPT (0.44) ALDH1A1MAPTMAPK1KDM4ECNR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN 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-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN 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 ALDH1A1 504/4885L3MBTL1 4088/4885MEN1 444/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALDH1A1 504/4885L3MBTL1 4088/4885MEN1 444/4885

“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.