SCHEMBL4568052

SCHEMBL4568052

COc1ccc(CC(=O)c2ccc(C)cc2)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
AHR P35869 1/20 0.44
MAPK1 P28482 2/20 0.40
F10 P00742 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
AKR1C3 P42330 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
SCHEMBL4568062 0.90 MEN1 (0.45) NPC1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4568054 0.90 SMN1; SMN2 (0.47) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4568012 0.90 KMT2A (0.45) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4568051 0.89 KCNK3 (0.45) NPC1RAB9AKMT2ASMN1; SMN2MAPK1
SCHEMBL4568067 0.86 KMT2A (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4568359 0.86 RAB9A (0.39) NPC1RAB9ALMNASMN1; SMN2F10
SCHEMBL4568358 0.86 GAA (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4568059 0.85 TSHR (0.39) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4568362 0.84 CYP17A1 (0.37) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4568361 0.84 TAS1R3 (0.41) NPC1RAB9AMEN1KMT2ALMNA

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-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 NPC1 1150/4885RAB9A 1646/4885MEN1 2993/4885

“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.