SCHEMBL4568097

SCHEMBL4568097

CCOc1ccc2c(Cc3cccc(C(=O)OC)n3)c(-c3ccccc3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MGAM O43451 1/20 0.41
TTK P33981 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4568518 0.92 CYP19A1 (0.42) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3703916 0.92 PTGER1 (0.44) TP53SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3706006 0.92 MTNR1A (0.48) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4568496 0.90 MTNR1A (0.45) TP53SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4568522 0.89 TUBB4A (0.42) KDM4EHSD17B10MAPTRAB9ATUBB4A
SCHEMBL4568523 0.88 GRM2 (0.39) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4568096 0.88 MDM4 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4568098 0.87 MDM4 (0.53) TP53SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4568192 0.86 KDM4E (0.42) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4568095 0.86 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 4 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
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 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 TP53 2015/4885SMN1; SMN2 4661/4885KDM4E 3521/4885

“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.