SCHEMBL5200009

SCHEMBL5200009

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccc([N+](=O)[O-])cc3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.46
MAPK14 Q16539 4/20 0.45
KDM4E B2RXH2 2/20 0.41
MTOR P42345 1/20 0.40
ALOX5 P09917 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
RIPK2 O43353 1/20 0.39
ACVR1B P36896 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
IDO1 P14902 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PSD A5PKW4 1/20 0.36

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
SCHEMBL5199288 0.88 TGFBR1 (0.43) TGFBR1MAPK14KDM4EMTORALOX5
SCHEMBL5199866 0.86 TGFBR1 (0.48) TGFBR1MAPK14KDM4EMTORTDP1
SCHEMBL5199968 0.84 TGFBR1 (0.46) TGFBR1MAPK14KDM4EMTORTDP1
SCHEMBL5201273 0.84 TGFBR1 (0.47) TGFBR1MAPK14KDM4EMTORTDP1
SCHEMBL5199441 0.84 TGFBR1 (0.47) TGFBR1MAPK14KDM4EMTORTDP1
SCHEMBL5200026 0.83 TGFBR1 (0.46) TGFBR1MAPK14KDM4EMTORTDP1
SCHEMBL5199850 0.83 TGFBR1 (0.47) TGFBR1MAPK14KDM4EMTORTDP1
SCHEMBL5197675 0.83 TGFBR1 (0.46) TGFBR1MAPK14KDM4EMTORALOX5
SCHEMBL5199459 0.82 TGFBR1 (0.49) TGFBR1MAPK14KDM4EMTORALOX5
SCHEMBL5199177 0.82 TGFBR1 (0.54) TGFBR1MAPK14KDM4EMTORTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP 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-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 TGFBR1 40/4885MAPK14 2998/4885KDM4E 806/4885

“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.