SCHEMBL16709306

SCHEMBL16709306

Cc1ccc(-c2nc(COC(C)(C)C)sc2Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
ALDH1A1 P00352 5/20 0.35
GAA P10253 3/20 0.35
TP53 P04637 1/20 0.34
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 2/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MYC P01106 1/20 0.31

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
SCHEMBL4567005 0.80 MAPT (0.41) MAPTSMN1; SMN2KDM4EMAPK1NPSR1
SCHEMBL16421065 0.72 RXRA (0.35) MAPTSMN1; SMN2KDM4EMAPK1NPSR1
SCHEMBL16318892 0.70 PPARD (0.41) ALDH1A1L3MBTL1PPARD
SCHEMBL202242 0.67 ALDH1A1 (0.46) MAPTKDM4ENPSR1LMNAALDH1A1
SCHEMBL28491512 0.66 MYC (0.36) MAPTSMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL2514464 0.66 PTGS2 (0.55) PTGDR2MEN1KMT2A
SCHEMBL5519834 0.64 MAPT (0.39) MAPTALDH1A1GAATP53POLB
SCHEMBL9401158 0.64 PTGDR2 (0.40) MAPTSMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL2705650 0.64 PTGDR2 (0.40) MAPTKDM4ENPSR1LMNAALDH1A1
SCHEMBL7935343 0.64 AGXT (0.54) MAPTSMN1; SMN2MAPK1ALDH1A1TDP1

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-20180179225-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-06-28 US disclosed
US-20160367531-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-22 US disclosed
US-9458150-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-10-04 US disclosed
US-20150307517-A1 ANTIMICROBIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2015-10-29 US disclosed
US-20150133465-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-05-14 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 (4 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-20160367531-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 MAPT 4729/4885SMN1; SMN2 2119/4885KDM4E 4414/4885
US-20150133465-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 MAPT 4729/4885SMN1; SMN2 2119/4885KDM4E 4414/4885
US-20150307517-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 MAPT 4729/4885SMN1; SMN2 2119/4885KDM4E 4414/4885
US-20180179225-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 MAPT 4729/4885SMN1; SMN2 2119/4885KDM4E 4414/4885

“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.