SCHEMBL4568012

SCHEMBL4568012

COc1ccc(CC(=O)c2ccccc2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.45
MEN1 O00255 7/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX2 P34913 1/20 0.43
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
KLF5 Q13887 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
SCHEMBL4568067 0.92 KMT2A (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4568051 0.90 KCNK3 (0.45) KMT2ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL4568052 0.90 NPC1 (0.46) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4568062 0.89 MEN1 (0.45) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL4568054 0.89 SMN1; SMN2 (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4568022 0.89 EPHX1 (0.45) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4568049 0.88 RAB9A (0.46) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4568061 0.88 NPC1 (0.46) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4568053 0.87 TSHR (0.49) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL4568365 0.87 KMT2A (0.41) KMT2AMEN1NPC1RAB9AMAPT

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 KMT2A 2056/4885MEN1 2993/4885NPC1 1150/4885

“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.