SCHEMBL1198971

SCHEMBL1198971

COC(=O)c1ccc(Cc2nc(-c3cccc(Cl)c3)cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
RORC P51449 1/20 0.47
GSTO1 P78417 1/20 0.46
PTGS2 P35354 1/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
DHFR P00374 1/20 0.44
CYP19A1 P11511 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.42
MRE11 P49959 1/20 0.42
DRD2 P14416 2/20 0.42
TBXA2R P21731 2/20 0.42

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
SCHEMBL1199545 0.90 MAPT (0.45) PTGS2DHFRL3MBTL1MAPTKMT2A
SCHEMBL12876765 0.88 SIRT5 (0.52) DHFRMAPTKMT2AKDM4ELMNA
SCHEMBL1198219 0.87 SIRT5 (0.53) DHFRL3MBTL1MAPTKMT2AKDM4E
SCHEMBL1199048 0.87 ALDH1A1 (0.55) PTGS2MAOACYP19A1MAPTKMT2A
SCHEMBL1198973 0.86 NPC1 (0.53) ABL1PTGS2DHFRL3MBTL1MAPT
SCHEMBL1198112 0.86 KDM4E (0.50) ABL1RORCGSTO1CYP19A1L3MBTL1
SCHEMBL1199433 0.86 MAPT (0.55) L3MBTL1MAPTKMT2AKDM4ELMNA
SCHEMBL1199000 0.86 MEN1 (0.53) ABL1DHFRMAPTKMT2AKDM4E
SCHEMBL1198556 0.84 ALDH1A1 (0.55) L3MBTL1MAPTKMT2AKDM4EMEN1
SCHEMBL7215427 0.84 CYP19A1 (0.56) ABL1GSTO1CYP19A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 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 (1 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A ABL1 3640/4885RORC 1720/4885GSTO1 2849/4885

“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.