SCHEMBL15060979

SCHEMBL15060979

CCCCOc1ccc(-n2cc(CO)nn2)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.79
P2RX7 Q99572 1/20 0.69
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
MIF P14174 2/20 0.55
CYP19A1 P11511 1/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL21792141 0.88 NOTUM (1.00) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL13526965 0.87 NOTUM (0.67) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL21157730 0.87 NOTUM (0.67) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL15060865 0.80 MIF (0.66) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL31442538 0.79 NOTUM (0.51) NOTUMP2RX7L3MBTL1MIF
SCHEMBL13527307 0.79 MIF (0.64) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL9969543 0.78 NOTUM (0.67) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL19211396 0.77 NOTUM (1.00) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL19211427 0.75 NOTUM (0.67) NOTUMP2RX7KDM4EMAPTL3MBTL1
SCHEMBL19211467 0.75 P2RX7 (0.67) NOTUMP2RX7KDM4EMAPTL3MBTL1

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 5 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-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-06-02 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 (3 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 NOTUM 3719/4885P2RX7 961/4885KDM4E 3922/4885
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same PROKR1, ARG1, ARG2 NOTUM 3719/4885P2RX7 961/4885KDM4E 3922/4885
US-20160152654-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 NOTUM 3719/4885P2RX7 961/4885KDM4E 3922/4885

“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.