SCHEMBL17795441

SCHEMBL17795441

CCCCCCc1ccc(-n2cc(C(N)=O)nn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
S1PR1 P21453 6/20 0.52
FAAH O00519 3/20 0.51
MGLL Q99685 3/20 0.51
MIF P14174 1/20 0.50
SPHK1 Q9NYA1 1/20 0.45
ENPP2 Q13822 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL15060957 0.99 CA12 (0.55) BCHECA12CA1CA2CA9
SCHEMBL17795645 0.88 BCHE (0.56) BCHECA12CA1CA2CA9
SCHEMBL14567878 0.87 BCHE (0.54) BCHECA12CA1CA2CA9
SCHEMBL21157763 0.85 FAAH (0.47) BCHECA12CA1CA2CA9
SCHEMBL13527016 0.85 FAAH (0.47) BCHECA12CA1CA2CA9
SCHEMBL17795384 0.78 BCHE (0.58) BCHECA12CA1CA2CA9
SCHEMBL13527252 0.77 MIF (0.60) BCHECA12CA1CA2CA9
SCHEMBL13527307 0.77 MIF (0.64) BCHECA12CA1CA2CA9
SCHEMBL16479605 0.76 BCHE (0.56) BCHECA12CA1CA2CA9
SCHEMBL13527214 0.76 MIF (0.67) BCHECA12CA1CA2CA9

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-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 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-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 BCHE 2005/4885CA12 4447/4885CA1 3502/4885

“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.