SCHEMBL2690751

SCHEMBL2690751

CCOC(=O)c1sc(Br)nc1-c1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.68
DBF4 Q9UBU7 7/20 0.68
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.50
GRM6 O15303 1/20 0.50
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
DHODH Q02127 5/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL29876744 1.00 CDC7 (0.68) CDC7DBF4ALDH1A1HPGDHSD17B10
SCHEMBL11279731 0.88 CDC7 (0.69) CDC7DBF4ALDH1A1HPGDHSD17B10
SCHEMBL19141292 0.87 ALDH1A1 (0.53) CDC7DBF4ALDH1A1HPGDHSD17B10
SCHEMBL8823140 0.86 ALDH1A1 (0.70) CDC7DBF4ALDH1A1HPGDHSD17B10
SCHEMBL11163073 0.86 ALDH1A1 (0.69) CDC7DBF4ALDH1A1HPGDHSD17B10
SCHEMBL10268830 0.86 CDC7 (0.67) CDC7DBF4ALDH1A1HPGDHSD17B10
SCHEMBL954885 0.85 CDC7 (0.69) CDC7DBF4ALDH1A1HPGDHSD17B10
SCHEMBL5528106 0.84 CDC7 (0.64) CDC7DBF4ALDH1A1HPGDHSD17B10
SCHEMBL8823115 0.84 CDC7 (0.85) CDC7DBF4ALDH1A1HPGDHSD17B10
SCHEMBL1919084 0.81 ALDH1A1 (0.74) CDC7DBF4ALDH1A1HPGDHSD17B10

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 CDC7 1875/4885DBF4 3789/4885ALDH1A1 2042/4885

“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.