SCHEMBL1950557

SCHEMBL1950557

CCN1Cc2cc(N)ccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
CRBN Q96SW2 1/20 0.44
CASP1 P29466 3/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PRF1 P14222 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
GFER P55789 1/20 0.39
CYP2D6 P10635 1/20 0.38
TNF P01375 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TSHR P16473 3/20 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
SCHEMBL4724309 0.87 KDM4E (0.48) ATAD2ALDH1A1KDM4EHPGDCRBN
SCHEMBL1952399 0.87 ALDH1A1 (0.57) ATAD2ALDH1A1KDM4EHPGDCRBN
SCHEMBL2504791 0.84 KDM4E (0.52) ATAD2ALDH1A1KDM4EHPGDCRBN
SCHEMBL1950172 0.84 CASP1 (0.49) ATAD2CASP1CASP7HSD17B10GRM5
SCHEMBL28846879 0.83 KDM4E (0.44) ATAD2ALDH1A1KDM4EHPGDCRBN
SCHEMBL1026421 0.81 GRM5 (0.44) KDM4EHSD17B10PRF1MAPTGRM5
SCHEMBL3388515 0.81 KDM4E (0.51) ALDH1A1KDM4EHPGDCRBNCASP1
SCHEMBL28611949 0.80 KDM4E (0.45) ALDH1A1KDM4EHPGDCRBNCASP1
SCHEMBL28612494 0.80 PARP1 (0.48) ALDH1A1KDM4EHPGDCRBNHSD17B10
SCHEMBL31409528 0.80 ADAM17 (0.48) ALDH1A1KDM4EHPGDCRBNHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438044-B1 COMPOUNDS JAPAN TOBACCO INC (JP) 2019-01-23 EP disclosed
US-8399481-B2 Compounds XENTION LTD (GB) 2013-03-19 US disclosed
EP-2438044-A1 COMPOUNDS Xention Limited (GB) 2012-04-11 EP disclosed
US-20110136859-A1 Compounds XENTION LTD. (GB) 2011-06-09 US disclosed
WO-2010139953-A1 COMPOUNDS XENTION LIMITED (GB) 2010-12-09 WO 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-20110136859-A1 Compounds CYP2C8, CYP3A7, CYP2A7 ATAD2 4425/4885ALDH1A1 1680/4885KDM4E 3464/4885

“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.