SCHEMBL1950625

SCHEMBL1950625

O=C1NCCc2ccc(NCc3ccccc3)cc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.58
PARP10 Q53GL7 7/20 0.52
PARP1 P09874 6/20 0.52
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
PARP11 Q9NR21 3/20 0.52
PDPK1 O15530 1/20 0.50
CDC7 O00311 1/20 0.48
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
MAPK1 P28482 1/20 0.44
NTRK1 P04629 1/20 0.44
MAOB P27338 2/20 0.43
HSD17B3 P37058 1/20 0.43
GRM5 P41594 1/20 0.43
IP6K1 Q92551 1/20 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
SCHEMBL1951410 0.89 PARP11 (0.63) MAOAPARP10PARP1PARP11PDPK1
SCHEMBL1952863 0.87 PARP10 (0.65) MAOAPARP10PARP1F7F3
SCHEMBL2640511 0.86 MAOA (0.45) MAOAPARP10PARP1F7F3
SCHEMBL18668933 0.82 PARP10 (0.57) PARP10PARP1F7F3PARP11
SCHEMBL6131245 0.77 MAOA (0.46) MAOANTRK1MAOBHSD17B3
SCHEMBL3008897 0.75 ROCK2 (0.51) PARP10PARP1F7F3PARP11
SCHEMBL3008902 0.75 ROCK2 (0.51) PARP10PARP1F7F3PARP11
SCHEMBL2027837 0.75 PARP10 (0.63) PARP10PARP1F7F3PARP11
SCHEMBL21460002 0.74 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL11022780 0.74 MAOA (0.55) MAOADDB1CRBNMAPK1NTRK1

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 MAOA 1502/4885PARP10 2469/4885PARP1 4078/4885

“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.