SCHEMBL17554279

SCHEMBL17554279

O=c1[nH]c(NCCc2ccccc2)nc2nc[nH]c12

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.63
NUDT1 P36639 1/20 0.57
POLA1 P09884 1/20 0.55
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54

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
SCHEMBL18251 0.87 PNP (0.62) XDH
SCHEMBL1394088 0.86 PNP (0.61) XDH
SCHEMBL5935074 0.85 XDH (0.78) XDHPOLA1
Cyanide SCHEMBL2694132 0.84 PNP (0.58) XDHMAPK1
SCHEMBL25398222 0.81 GDA (0.58) POLA1
Monoethanolamine SCHEMBL27179191 0.80 PNP (0.57) XDH
SCHEMBL667798 0.80 XDH (0.84) XDHPOLA1
SCHEMBL9806979 0.80 XDH (0.71) XDH
SCHEMBL6751934 0.80 XDH (0.71) XDH
SCHEMBL441799 0.80 XDH (0.71) XDHPOLA1

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-2992883-B1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS SHANGHAI INST MATERIA MEDICA CAS (CN) 2024-04-24 EP disclosed
US-9737517-B2 Pharmaceutical use of hexahydro-dibenzo[a,g]quinolizine compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-22 US disclosed
US-20160193195-A1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-07-07 US disclosed
EP-2992883-A1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2016-03-09 EP disclosed
CN-101292954-A Anti-cancer medicament sustained-release injection JINAN SHUAIHUA PHARMACEUTICAL (CN) 2008-10-29 CN 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-20160193195-A1 PHARMACEUTICAL USE OF HEXAHYDRO-DIBENZO[A,G]QUINOLIZINE COMPOUNDS BPHL, QDPR, NQO2 XDH 109/4885NUDT1 511/4885POLA1 1064/4885

“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.