SCHEMBL4568276

SCHEMBL4568276

CCOc1ccc2cc(-c3ccsc3)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ESR2 Q92731 1/20 0.42
PDE3A Q14432 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSMB8 P28062 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
SCHEMBL4568036 0.85 NPC1 (0.51) HPGDMAPTALDH1A1NPC1RAB9A
SCHEMBL4568306 0.79 CDK5 (0.38) HPGDMAPTHSD17B10ALDH1A1PDE3A
SCHEMBL4568288 0.78 CCNB2 (0.37) PDE3ANPC1RAB9APDGFRBPDGFRA
SCHEMBL4568275 0.78 MAPT (0.46) HPGDMAPTHSD17B10ALDH1A1ESR2
SCHEMBL4568278 0.74 CYP19A1 (0.64) HPGDMAPTHSD17B10ALDH1A1NPC1
SCHEMBL8761705 0.73 NPC1 (0.64) HPGDMAPTALDH1A1NPC1RAB9A
SCHEMBL2881187 0.73 PTGS2 (0.49) MAPTHSD17B10ALDH1A1ESR2NPC1
SCHEMBL4256660 0.72 KDM4E (0.46) HPGDMAPTHSD17B10ALDH1A1NPC1
SCHEMBL4568266 0.72 CDK5 (0.43) HPGDMAPTHSD17B10ALDH1A1NPC1
SCHEMBL4891906 0.71 NPC1 (0.61) HPGDMAPTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R HPGD 1020/4885MAPT 3199/4885HSD17B10 1799/4885

“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.