SCHEMBL5520347

SCHEMBL5520347

CCNC(=O)Nc1ccc(Cc2nc(C(C)(C)C)sc2C(=O)OCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
RAF1 P04049 2/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 3/20 0.44
HTT P42858 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 3/20 0.42
DHODH Q02127 1/20 0.41
LMNA P02545 2/20 0.41
MCL1 Q07820 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
SCHEMBL5557023 0.85 KMT2A (0.46) MAPK14RAF1KMT2AMEN1MAPT
SCHEMBL5520496 0.81 PTPN11 (0.48) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL5527731 0.81 CDC7 (0.47) KMT2AMEN1MAPTHPGDGAA
SCHEMBL5528919 0.80 TRPM8 (0.55) KMT2AMEN1MAPTNPC1HPGD
SCHEMBL5522703 0.78 PTPN11 (0.46) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5527737 0.76 PARP1 (0.43) KMT2AMEN1MAPTNPC1HPGD
SCHEMBL2694074 0.74 HPGD (0.47) KMT2AMEN1MAPTNPC1HPGD
SCHEMBL5522721 0.74 TRPM8 (0.53) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL5520493 0.74 ALDH1A1 (0.46) MAPTNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5527717 0.74 TSHR (0.47) MAPK14SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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 (1 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 MAPK14 2742/4885RAF1 3222/4885KMT2A 1024/4885

“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.