SCHEMBL16623535

SCHEMBL16623535

N=C(c1ccc(S)cc1)c1c(NCc2ccc(O)cc2)cc[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
THRB P10828 2/20 0.36
ALOX12 P18054 2/20 0.36
EGFR P00533 2/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
AGER Q15109 1/20 0.33
POLB P06746 3/20 0.31
HPGD P15428 3/20 0.31
HSD17B10 Q99714 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
GAA P10253 2/20 0.31
ALOX15 P16050 2/20 0.31
MAPK1 P28482 2/20 0.31
CASP1 P29466 2/20 0.31
BLM P54132 2/20 0.31

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
SCHEMBL16623481 0.78 EGFR (0.38) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL16623570 0.77 PARP1 (0.31)
SCHEMBL16623541 0.77 EGFR (0.34) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL16726659 0.77 JAK2 (0.34)
SCHEMBL16623457 0.75 BRD4 (0.30)
SCHEMBL16726662 0.74 PDE3B (0.32)
SCHEMBL16726664 0.72 BRD4 (0.39)
SCHEMBL16623464 0.71 JAK1 (0.38) ALOX15
SCHEMBL16623558 0.71 PARP1 (0.34)
SCHEMBL16623488 0.71 JAK1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALDH1A1 3511/4885MEN1 200/4885MAPT 1208/4885

“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.