SCHEMBL15060973

SCHEMBL15060973

CCCCCc1ccc(-n2cc(CN(CC)CC)nn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.58
BCHE P06276 1/20 0.53
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
S1PR1 P21453 4/20 0.46
SPHK1 Q9NYA1 1/20 0.43
KCNH2 Q12809 4/20 0.42
NOTUM Q6P988 2/20 0.42
P2RX7 Q99572 1/20 0.41

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
SCHEMBL13527222 0.99 MIF (0.56) MIFBCHECA12CA1CA2
SCHEMBL16479596 0.89 MIF (0.60) MIFBCHECA12CA1CA2
SCHEMBL17795660 0.88 MIF (0.59) MIFBCHECA12CA1CA2
SCHEMBL13527010 0.88 CA12 (0.44) MIFBCHECA12CA1CA2
SCHEMBL15060892 0.82 MIF (0.62) MIFBCHECA12CA1CA2
SCHEMBL15060865 0.82 MIF (0.66) MIFBCHECA12CA1CA2
SCHEMBL13527307 0.81 MIF (0.64) MIFBCHECA12CA1CA2
SCHEMBL15060983 0.81 MIF (0.68) MIFBCHECA12CA1CA2
SCHEMBL13527252 0.81 MIF (0.60) MIFBCHECA12CA1CA2
SCHEMBL15060974 0.80 MIF (0.71) MIFBCHECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 US disclosed
US-9085600-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-07-21 US disclosed
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same SILICON VALLEY BANK 2014-04-03 US disclosed
US-8470985-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2013-06-25 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 (2 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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MIF 196/4885BCHE 2005/4885CA12 4447/4885
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same PROKR1, ARG1, ARG2 MIF 196/4885BCHE 2005/4885CA12 4447/4885

“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.