SCHEMBL16775367

SCHEMBL16775367

COc1ccc(-c2nc(SCc3ccc(CSc4nc(-c5ccc(OC)cc5)c(C#N)c(=O)[nH]4)cc3)[nH]c(=O)c2C#N)cc1

nearest known ligand 0.92

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.92
KMT2A Q03164 6/20 0.92
CXCR2 P25025 2/20 0.70
ACMSD Q8TDX5 3/20 0.69
POLB P06746 6/20 0.69
TNF P01375 1/20 0.69
PLA2G1B P04054 1/20 0.69
NOD2 Q9HC29 1/20 0.69
NOD1 Q9Y239 1/20 0.69
ATG4B Q9Y4P1 1/20 0.69
BRD4 O60885 3/20 0.68
HPGD P15428 2/20 0.58
ALDH1A1 P00352 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58

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
SCHEMBL16772515 0.93 MEN1 (0.80) MEN1KMT2ACXCR2ACMSDPOLB
SCHEMBL16772554 0.91 MEN1 (0.84) MEN1KMT2ACXCR2ACMSDPOLB
SCHEMBL20099425 0.88 ACMSD (0.76) MEN1KMT2ACXCR2ACMSDPOLB
SCHEMBL20468620 0.87 MEN1 (0.89) MEN1KMT2ACXCR2ACMSDPOLB
SCHEMBL16775351 0.87 MEN1 (0.74) MEN1KMT2ACXCR2ACMSDPOLB
SCHEMBL20828277 0.87 MEN1 (0.70) MEN1KMT2ACXCR2ACMSDPOLB
SCHEMBL16775329 0.86 MEN1 (0.73) MEN1KMT2ACXCR2ACMSDPOLB
SCHEMBL16775408 0.85 MEN1 (0.70) MEN1KMT2ACXCR2ACMSDPOLB
SCHEMBL20828276 0.85 MEN1 (0.68) MEN1KMT2ACXCR2ACMSDPOLB
SCHEMBL16775368 0.85 ACMSD (0.74) MEN1KMT2ACXCR2ACMSDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-08-09 US disclosed
US-9957247-B2 SecA inhibitors and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 US disclosed
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 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-20180222880-A1 SecA INHIBITORS AND METHODS OF MAKING AND USING THEREOF SEC61B, SEC61A1, SEC23A MEN1 2848/4885KMT2A 4137/4885CXCR2 2687/4885
US-20150152077-A1 SecA Inhibitors and Methods of Making and Using Thereof SEC61B, SEC61A1, SEC23A MEN1 2848/4885KMT2A 4137/4885CXCR2 2687/4885

“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.