SCHEMBL17795659

SCHEMBL17795659

CCCCCCc1ccc(-n2cc(COC)nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.61
BCHE P06276 1/20 0.56
NOTUM Q6P988 1/20 0.53
P2RX7 Q99572 3/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
S1PR1 P21453 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
ROCK2 O75116 1/20 0.47
SPHK1 Q9NYA1 1/20 0.45
RXRA P19793 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 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
SCHEMBL16479587 0.99 MIF (0.63) MIFBCHENOTUMP2RX7CA12
SCHEMBL13527011 0.85 NOTUM (0.51) MIFNOTUMP2RX7CYP1A2CYP2C9
SCHEMBL21157760 0.85 NOTUM (0.51) MIFNOTUMP2RX7ROCK2RXRA
SCHEMBL17795429 0.84 P2RX7 (0.61) MIFBCHEP2RX7CA12CA1
SCHEMBL13527252 0.84 MIF (0.60) MIFBCHENOTUMP2RX7CA12
SCHEMBL13527307 0.84 MIF (0.64) MIFBCHENOTUMP2RX7CA12
SCHEMBL17795660 0.83 MIF (0.59) MIFBCHENOTUMP2RX7CA12
SCHEMBL13527214 0.83 MIF (0.67) MIFBCHENOTUMP2RX7CA12
SCHEMBL16479571 0.83 MIF (0.60) MIFBCHEP2RX7CA12CA1
SCHEMBL15060892 0.82 MIF (0.62) MIFBCHENOTUMP2RX7CA12

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 MIF 196/4885BCHE 2005/4885NOTUM 3719/4885

“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.