SCHEMBL5528299

SCHEMBL5528299

CC(C)(C)c1nc(-c2ccc(-c3ccccc3)cc2)c(C(=O)O)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.51
DBF4 Q9UBU7 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.45
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
PTGS2 P35354 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
DHODH Q02127 3/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
XIAP P98170 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL5525381 0.97 CDC7 (0.54) CDC7DBF4SMN1; SMN2RARARARB
SCHEMBL5528443 0.88 RARA (0.47) CDC7DBF4RARARARBRARG
SCHEMBL5524679 0.88 GRIA4 (0.44) CDC7DBF4ALDH1A1PTGS2DHODH
SCHEMBL5524706 0.88 PTGDR2 (0.48) CDC7DBF4PTGDR2DHODHALOX5
SCHEMBL5525665 0.87 RAB9A (0.51) CDC7DBF4SMN1; SMN2ALDH1A1HPGD
SCHEMBL5522085 0.87 PTGS2 (0.56) CDC7DBF4SMN1; SMN2ALDH1A1PTGS2
SCHEMBL19625316 0.86 KMT2A (0.55) CDC7DBF4SMN1; SMN2ALDH1A1HPGD
SCHEMBL5524362 0.86 CA12 (0.44) CDC7DBF4SMN1; SMN2RARBRARG
SCHEMBL5525707 0.85 SMN1; SMN2 (0.41) CDC7DBF4SMN1; SMN2RARARARB
SCHEMBL5527747 0.85 CDC7 (0.58) CDC7DBF4SMN1; SMN2PTGS2CCNE1

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 3789/4885SMN1; SMN2 4646/4885

“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.