SCHEMBL1952863

SCHEMBL1952863

O=C1NCCc2ccc(NCc3ccc(Cl)cc3)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.65
PARP1 P09874 6/20 0.65
F7 P08709 1/20 0.65
F3 P13726 1/20 0.65
MAOA P21397 1/20 0.43
F11 P03951 2/20 0.42
KLKB1 P03952 2/20 0.42
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
MET P08581 1/20 0.42
FGFR1 P11362 1/20 0.42
PRKACA P17612 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3B P49841 1/20 0.42
MAP2K1 Q02750 1/20 0.42
MST1R Q04912 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 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
SCHEMBL1950625 0.87 MAOA (0.58) PARP10PARP1F7F3MAOA
SCHEMBL18668933 0.82 PARP10 (0.57) PARP10PARP1F7F3F11
SCHEMBL2640599 0.81 PARP1 (0.43) PARP10PARP1F7F3F11
SCHEMBL1951356 0.81 RAB9A (0.43) PARP10PARP1F7F3HDAC1
SCHEMBL29676942 0.80 PARP10 (1.00) PARP10PARP1F7F3F11
SCHEMBL793493 0.80 PARP10 (1.00) PARP10PARP1F7F3F11
SCHEMBL1947345 0.79 DRD2 (0.45) HDAC1FFAR1MEN1CYP1A2CYP2C9
SCHEMBL20657123 0.78 F7 (0.56) PARP10PARP1F7F3F11
SCHEMBL1952193 0.77 MAPT (0.41) MAOANTRK1FGFR1KDRFLT3
SCHEMBL1951410 0.76 PARP11 (0.63) PARP10PARP1MAOAPARP11PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438044-B1 COMPOUNDS JAPAN TOBACCO INC (JP) 2019-01-23 EP claimed
US-8399481-B2 Compounds XENTION LTD (GB) 2013-03-19 US claimed
EP-2438044-A1 COMPOUNDS Xention Limited (GB) 2012-04-11 EP claimed
WO-2010139953-A1 COMPOUNDS XENTION LIMITED (GB) 2010-12-09 WO claimed
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 PARP10 2469/4885PARP1 4078/4885F7 162/4885

“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.