SCHEMBL1920605

SCHEMBL1920605

CCOC(=O)c1sc(Br)nc1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RAB9A P51151 2/20 0.52
PTPN11 Q06124 1/20 0.48
PDE4B Q07343 2/20 0.45
PDE4D Q08499 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
GAA P10253 1/20 0.45
SETD7 Q8WTS6 1/20 0.45
CACNA1F O60840 2/20 0.44
CACNA1D Q01668 2/20 0.44
CACNA1S Q13698 2/20 0.44
CACNA1C Q13936 2/20 0.44
PPP1CA P62136 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HIF1A Q16665 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 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
SCHEMBL2694503 0.87 PTPN11 (0.56) MAPTMEN1KMT2ARAB9APTPN11
SCHEMBL1919464 0.84 ALDH1A1 (0.48) MAPTMEN1KMT2ARAB9APTPN11
SCHEMBL1919718 0.84 NPC1 (0.48) MAPTMEN1KMT2ARAB9ACYP1A2
SCHEMBL5528040 0.82 MAPT (0.50) MAPTMEN1KMT2ARAB9APTPN11
SCHEMBL14109414 0.82 PPP1CA (0.53) MAPTMEN1KMT2ARAB9APDE4B
SCHEMBL1918920 0.81 CDC7 (0.56) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL1919320 0.80 FNTA (0.46) PTPN11SETD7LMNAPOLBALDH1A1
SCHEMBL2690482 0.80 MAPT (0.58) MAPTMEN1KMT2ARAB9ACYP1A2
SCHEMBL1919769 0.79 DHODH (0.50) MAPTRAB9APTPN11MAPK1LMNA
SCHEMBL2690687 0.77 PTPN11 (0.55) MAPTMEN1KMT2ARAB9APTPN11

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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US disclosed
EP-2326640-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-06-01 EP disclosed
WO-2010013222-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2010-02-04 WO 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 2190/4885MEN1 4532/4885KMT2A 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.