SCHEMBL17795384

SCHEMBL17795384

CCCCCCc1ccc(-n2cc(C)nn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MIF P14174 1/20 0.54
S1PR1 P21453 4/20 0.49
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
HSD11B1 P28845 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45

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
SCHEMBL16479605 0.98 BCHE (0.56) BCHECA12CA1CA2CA9
SCHEMBL21157743 0.82 BCHE (0.42) BCHECA12CA1CA2CA9
SCHEMBL13527025 0.82 BCHE (0.42) BCHECA12CA1CA2CA9
SCHEMBL13527252 0.81 MIF (0.60) BCHECA12CA1CA2CA9
SCHEMBL17795701 0.81 BCHE (0.55) BCHECA12CA1CA2CA9
SCHEMBL13527307 0.81 MIF (0.64) BCHECA12CA1CA2CA9
SCHEMBL26326038 0.80 RXRA (0.47) MIFS1PR1MGLLADORA3PTGS2
SCHEMBL13527214 0.80 MIF (0.67) BCHECA12CA1CA2CA9
SCHEMBL17795660 0.80 MIF (0.59) BCHECA12CA1CA2CA9
SCHEMBL16479606 0.79 CA12 (0.55) 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.