SCHEMBL5519680

SCHEMBL5519680

CCOC(=O)c1scnc1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.51
DBF4 Q9UBU7 4/20 0.51
TRPM8 Q7Z2W7 2/20 0.51
LMNA P02545 3/20 0.48
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL13494043 0.88 TRPM8 (0.45) CDC7DBF4TRPM8LMNAALDH1A1
SCHEMBL5528040 0.81 MAPT (0.50) LMNAALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL19940202 0.81 HSD17B10 (0.46) CDC7DBF4TRPM8LMNAALDH1A1
SCHEMBL859758 0.81 HSD17B10 (0.42) CDC7DBF4TRPM8LMNAALDH1A1
SCHEMBL21518879 0.78 HSD17B10 (0.43) CDC7DBF4TRPM8LMNAALDH1A1
SCHEMBL27727664 0.78 PLA2G10 (0.46) CDC7DBF4LMNAMAPK8MAPK10
SCHEMBL7613832 0.78 HSP90AA1 (0.48) CDC7DBF4TRPM8LMNAALDH1A1
SCHEMBL1561223 0.77 ALDH1A1 (0.59) CDC7DBF4TRPM8LMNAALDH1A1
SCHEMBL1918920 0.77 CDC7 (0.56) CDC7DBF4TRPM8LMNAALDH1A1
SCHEMBL2717847 0.77 SMN1; SMN2 (0.43) LMNAALDH1A1KDM4ESMN1; SMN2HSD17B10

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 2 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
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 3789/4885TRPM8 3522/4885

“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.