SCHEMBL13326600

SCHEMBL13326600

Cc1cc(NC2CCNC2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
HRH2 P25021 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PRKCI P41743 1/20 0.43
BRD4 O60885 4/20 0.40
ATAD2 Q6PL18 4/20 0.40
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
PLK4 O00444 1/20 0.39
PAK4 O96013 1/20 0.39
MAP4K1 Q92918 1/20 0.38
BPTF Q12830 2/20 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
SCHEMBL1918292 0.81 TRPM8 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL13326805 0.76 CCNT1 (0.41) HRH4HRH3HRH2ALDH1A1CYP1A2
SCHEMBL13326801 0.76 CCNT1 (0.41) HRH4HRH3HRH2ALDH1A1CYP1A2
SCHEMBL13326596 0.76 CCNT1 (0.41) HRH4HRH3HRH2ALDH1A1CYP1A2
SCHEMBL242814 0.75 SMYD3 (0.58) SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL22572908 0.75 MAPK1 (0.49) ALDH1A1CYP1A2CYP3A4ALOX15CYP2C19
SCHEMBL17303485 0.73 HRH4 (0.51) HRH4HRH3HRH2ALDH1A1CYP1A2
SCHEMBL20577268 0.73 HRH4 (0.61) HRH4HRH3HRH2ALDH1A1CYP1A2
SCHEMBL15219279 0.73 HRH4 (0.61) HRH4HRH3HRH2ALDH1A1CYP1A2
SCHEMBL2535679 0.73 HRH4 (0.45) HRH4HRH3HRH2BRD4ATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US 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-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS CBR3, CBR1, TECR HRH4 103/4885HRH3 130/4885HRH2 61/4885

“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.