SCHEMBL4568049

SCHEMBL4568049

COc1ccc(CC(=O)c2cccc(F)c2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
ANO1 Q5XXA6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 2/20 0.39
GRIN2B Q13224 1/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8762037 0.92 NPC1 (0.46) RAB9ANPC1ALDH1A1KDM4EKMT2A
SCHEMBL4568067 0.91 KMT2A (0.50) RAB9ANPC1ALDH1A1KDM4EKMT2A
SCHEMBL4568051 0.89 KCNK3 (0.45) RAB9ANPC1KMT2AANO1SMN1; SMN2
SCHEMBL4568054 0.88 SMN1; SMN2 (0.47) RAB9ANPC1ALDH1A1KDM4EKMT2A
SCHEMBL4568012 0.88 KMT2A (0.45) RAB9ANPC1ALDH1A1KDM4EKMT2A
SCHEMBL4568070 0.88 RXFP1 (0.48) KDM4EKMT2AMAPTANO1POLB
SCHEMBL4568061 0.88 NPC1 (0.46) RAB9ANPC1ALDH1A1KDM4EKMT2A
SCHEMBL4568365 0.87 KMT2A (0.41) RAB9ANPC1ALDH1A1KDM4EKMT2A
SCHEMBL4568358 0.86 GAA (0.42) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL4568360 0.86 MAPT (0.36) RAB9ANPC1KDM4EKMT2AMAPT

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 RAB9A 1646/4885NPC1 1150/4885ALDH1A1 422/4885

“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.