SCHEMBL5577333

SCHEMBL5577333

Cc1cccc(C(=O)NCc2cccc(N3CCN(CC=Cc4ccc(N(C)C)cc4)CC3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
CHRM3 P20309 2/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.42
ANXA2 P07355 1/20 0.42
S100A10 P60903 1/20 0.42
NSD2 O96028 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
DRD4 P21917 3/20 0.42

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
SCHEMBL5577331 1.00 HSD17B10 (0.48) HSD17B10CHRM3KDM4EALDH1A1MAPT
SCHEMBL5577265 0.92 ALDH1A1 (0.50) HSD17B10CHRM3KDM4EALDH1A1MAPT
SCHEMBL5577263 0.92 ALDH1A1 (0.50) HSD17B10CHRM3KDM4EALDH1A1MAPT
SCHEMBL5577601 0.92 KDM4E (0.48) HSD17B10CHRM3KDM4EALDH1A1MAPT
SCHEMBL5577600 0.92 KDM4E (0.48) HSD17B10CHRM3KDM4EALDH1A1MAPT
SCHEMBL5577307 0.89 ANXA2 (0.43) HSD17B10KDM4EALDH1A1MAPTGLA
SCHEMBL5577310 0.89 ANXA2 (0.43) HSD17B10KDM4EALDH1A1MAPTGLA
SCHEMBL5577905 0.88 ANXA2 (0.43) HSD17B10KDM4EALDH1A1MAPTGLA
SCHEMBL5577900 0.88 ANXA2 (0.43) HSD17B10KDM4EALDH1A1MAPTGLA
SCHEMBL5577327 0.88 DRD2 (0.47) HSD17B10KDM4EALDH1A1MAPTGLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C HSD17B10 4005/4885CHRM3 2099/4885KDM4E 4213/4885

“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.