SCHEMBL15060908

SCHEMBL15060908

CCCCC(=O)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.58
MKNK2 Q9HBH9 5/20 0.58
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP19A1 P11511 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL13527204 0.96 HDAC3 (0.59) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL13526624 0.85 MKNK1 (0.54) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL19683415 0.85 MKNK1 (0.54) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL13003033 0.84 L3MBTL1 (0.66) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL13783881 0.84 HDAC1 (0.62) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL15060966 0.83 HDAC1 (0.59) HDAC3HDAC1HDAC2HPGDSMN1; SMN2
SCHEMBL3384358 0.83 HDAC1 (0.55) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL552456 0.83 HDAC1 (0.63) HDAC3HDAC1HDAC2HDAC8CYP2C19
SCHEMBL31030252 0.83 HDAC1 (0.63) HDAC3HDAC1HDAC2HDAC8CYP2C19
SCHEMBL6606979 0.82 L3MBTL1 (0.79) HDAC1HDAC8HPGDSMN1; SMN2L3MBTL1

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 MKNK1 2558/4885MKNK2 2709/4885HDAC3 91/4885
US-20140094422-A1 Triazole Compounds and Methods of Making and Using the Same PROKR1, ARG1, ARG2 MKNK1 2558/4885MKNK2 2709/4885HDAC3 91/4885

“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.