SCHEMBL15625751

SCHEMBL15625751

CCCCn1cc(-c2ccc3ccccc3n2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CNR2 P34972 11/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR1 P21554 4/20 0.44
GSK3B P49841 1/20 0.43
ACHE P22303 1/20 0.43
TLR8 Q9NR97 1/20 0.42
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 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
SCHEMBL15625725 0.90 CNR2 (0.52) CA12CA1CA2CA9CNR2
SCHEMBL17179429 0.79 NPC1 (0.54) KDM4EALDH1A1HSD17B10GSK3BACHE
SCHEMBL30216747 0.77 CNR2 (0.64) CA12CA1CA2CA9CNR2
SCHEMBL28215935 0.74 DYRK1A (0.52) CA12CA1CA2CA9CNR2
SCHEMBL23929208 0.73 CNR2 (0.53) CNR2CNR1
SCHEMBL12206640 0.70 CNR2 (0.54) CNR2KDM4EALDH1A1HSD17B10CNR1
SCHEMBL19532488 0.69 MKNK2 (0.54) CA12CA1CA2CA9CNR2
SCHEMBL27811117 0.69 CA12 (0.65) CA12CA1CA2CA9CNR2
SCHEMBL28118981 0.69 CA12 (0.47) CA12CA1CA2CA9CNR2
SCHEMBL23269921 0.68 CDC25A (0.65) CNR2KDM4EALDH1A1HSD17B10CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088144-A1 INHIBITING MICROBIAL INFECTIONS THE UNIVERSITY OF KANSAS (US) 2014-03-27 US disclosed
US-20140088144-A1 INHIBITING MICROBIAL INFECTIONS THE UNIVERSITY OF KANSAS (US) 2014-03-27 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-20140088144-A1 INHIBITING MICROBIAL INFECTIONS ARAF, VGF, LITAF CA12 3987/4885CA1 3778/4885CA2 2297/4885

“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.