SCHEMBL5528040

SCHEMBL5528040

CCOC(=O)c1scnc1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.46
PDE4B Q07343 2/20 0.45
PDE4D Q08499 2/20 0.45
CACNA1C Q13936 3/20 0.45
CACNA1F O60840 2/20 0.45
CACNA1D Q01668 2/20 0.45
CACNA1S Q13698 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
HIF1A Q16665 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL1920605 0.82 MAPT (0.52) MAPTKMT2AMEN1RAB9AMAPK1
SCHEMBL5519680 0.81 CDC7 (0.51) MAPTKMT2AMEN1RAB9AMAPK1
SCHEMBL14109414 0.78 PPP1CA (0.53) MAPTKMT2AMEN1RAB9AMAPK1
SCHEMBL23933204 0.76 RXFP1 (0.49) MAPTKMT2AMEN1RAB9AMAPK1
SCHEMBL5744910 0.75 DPP4 (0.60) KMT2APDE4BPDE4DNFKB1RXFP1
SCHEMBL19940202 0.74 HSD17B10 (0.46) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL13494043 0.73 TRPM8 (0.45) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL859758 0.71 HSD17B10 (0.42) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL2111020 0.71 KMT2A (0.65) MAPTKMT2AMEN1RAB9AMAPK1
SCHEMBL3388760 0.70 NPC1 (0.62) MAPTKMT2AMEN1ALDH1A1GAA

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 MAPT 2190/4885KMT2A 1024/4885MEN1 4532/4885

“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.