SCHEMBL4568199

SCHEMBL4568199

CCOC(=O)c1cccc(Cc2c(C(C)(C)C)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 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
SCHEMBL4568213 0.88 GPR17 (0.46) MEN1KMT2AKDM4EGAAPTGS2
SCHEMBL11978671 0.87 JAK2 (0.41) ALDH1A1HSD17B10KMT2AALOX15KDM4E
SCHEMBL4568491 0.86 PRMT5 (0.40) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL4568484 0.86 KMT2A (0.42) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL15975126 0.83 KDM4E (0.37) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL4568576 0.83 GPR17 (0.43) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL15998686 0.82 MRGPRX4 (0.40) ALDH1A1HSD17B10KDM4EMAPTNPC1
SCHEMBL15975117 0.82 GPR17 (0.39) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL4568099 0.82 MAPT (0.43) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL4568173 0.82 MAPK13 (0.48) ALDH1A1HSD17B10MEN1KMT2AALOX15

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-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 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 ALDH1A1 422/4885HSD17B10 1799/4885MEN1 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.