SCHEMBL4568386

SCHEMBL4568386

COc1cc2[nH]c(C(C)(C)C)cc2cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.42
IDH1 O75874 11/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
PGK1 P00558 1/20 0.36
GSK3B P49841 1/20 0.36
MAP4K2 Q12851 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BCAT2 O15382 1/20 0.35
BCAT1 P54687 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL15829305 0.86 EHMT2 (0.56) EHMT2KDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL4568387 0.84 PGK1 (0.39) EHMT2IDH1GAANPC1PGK1
SCHEMBL22330349 0.82 AR (0.39) GAAKDM4EALDH1A1GRIN2DGRIN3B
SCHEMBL4568309 0.81 EHMT2 (0.43) EHMT2GAAKDM4EALDH1A1GRIN2D
SCHEMBL16818978 0.81 AXL (0.49) EHMT2IDH1GAANPC1PGK1
SCHEMBL4568308 0.80 EHMT2 (0.42) EHMT2IDH1KDM4EALDH1A1GRIN2D
SCHEMBL15099984 0.78 EHMT2 (0.40) EHMT2PGK1KDM4EALDH1A1GRIN2D
SCHEMBL21101467 0.77 AR (0.41)
SCHEMBL11619589 0.74 AXL (0.49) EHMT2IDH1GAANPC1PGK1
SCHEMBL14845719 0.73 EHMT2 (0.32) EHMT2SYK

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
EP-2669272-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT OF SAME Kissei Pharmaceutical Co., Ltd. (JP) 2013-12-04 EP disclosed
US-20130317065-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL COMPANY, LIMITED (JP) 2013-11-28 US 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 (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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R EHMT2 1886/4885IDH1 2864/4885GAA 4525/4885
US-20130317065-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R EHMT2 982/4885IDH1 2921/4885GAA 4780/4885

“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.