SCHEMBL13069828

SCHEMBL13069828

CCCc1cnnc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL13844518 0.83
SCHEMBL17247516 0.75 RAB9A (0.39) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL27345662 0.75 ALDH1A1 (0.34) RAB9ACNR1CNR2
SCHEMBL13193547 0.75 CNR1 (0.31) CNR1CNR2
SCHEMBL13028888 0.73 ESR1 (0.33)
SCHEMBL24434530 0.73 CNR1 (0.35) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL20356224 0.69 CYP11B1 (0.32) CNR1CNR2
SCHEMBL1913009 0.68 CYP11B1 (0.39) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL24799773 0.68 NPC1 (0.39) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL16390248 0.67 NOS1 (0.42) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 NPC1 1850/4885TP53 3966/4885PKM 1369/4885

“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.