SCHEMBL2694074

SCHEMBL2694074

CCOC(=O)c1sc(Br)nc1Cc1ccc(NC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
DHODH Q02127 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 3/20 0.45
CDC7 O00311 3/20 0.44
DBF4 Q9UBU7 3/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 2/20 0.44
NFKB1 P19838 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
SCHEMBL2692437 0.84 CDC7 (0.49) ALDH1A1MAPTKDM4ECYP1A2TSHR
SCHEMBL2690687 0.83 PTPN11 (0.55) HPGDALDH1A1MAPTKDM4EDHODH
SCHEMBL623716 0.83 MAPT (0.58) HPGDALDH1A1MAPTKDM4ENPSR1
SCHEMBL1918920 0.83 CDC7 (0.56) HPGDALDH1A1MAPTKDM4EMEN1
SCHEMBL1920626 0.82 PTPN11 (0.51) ALDH1A1MAPTKDM4ECDC7DBF4
SCHEMBL1919487 0.81 CDC7 (0.58) HPGDALDH1A1MAPTKDM4EDHODH
SCHEMBL1919045 0.80 MEN1 (0.61) ALDH1A1MAPTKDM4EDHODHMEN1
SCHEMBL2694503 0.79 PTPN11 (0.56) MAPTMEN1KMT2ACDC7DBF4
SCHEMBL2690624 0.79 PTPN11 (0.48) MAPTKDM4ECYP1A2TSHRCDC7
SCHEMBL1919769 0.78 DHODH (0.50) HPGDALDH1A1MAPTKDM4EDHODH

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 HPGD 563/4885ALDH1A1 2042/4885MAPT 2190/4885

“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.