SCHEMBL1016291

SCHEMBL1016291

CC(=O)Nc1cccc(-c2ccc(C)c(N)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MAP4K4 O95819 1/20 0.55
HSD17B1 P14061 1/20 0.55
HSD17B2 P37059 1/20 0.55
HSD17B10 Q99714 1/20 0.54
USP7 Q93009 2/20 0.53
FYN P06241 1/20 0.53
NQO2 P16083 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CYP17A1 P05093 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CHEK2 O96017 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL1016159 0.86 SMN1; SMN2 (0.63) ALDH1A1RXFP1SMN1; SMN2HDAC3HDAC1
SCHEMBL31734734 0.84 ALDH1A1 (0.55) ALDH1A1MAP4K4HSD17B1HSD17B2HSD17B10
SCHEMBL26907380 0.84 ALDH1A1 (0.55) ALDH1A1MAP4K4HSD17B1HSD17B2HSD17B10
SCHEMBL4654909 0.83 ALDH1A1 (0.67) ALDH1A1MAP4K4HSD17B1HSD17B2HSD17B10
SCHEMBL2081736 0.82 TDP1 (0.57) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL30483162 0.82 TDP1 (0.57) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL12999591 0.81 NPC1 (0.69) ALDH1A1MAP4K4HSD17B1HSD17B2HSD17B10
SCHEMBL6798003 0.81 ALDH1A1 (0.80) ALDH1A1MAP4K4HSD17B1HSD17B2HSD17B10
SCHEMBL8577619 0.80 SMN1; SMN2 (0.70) ALDH1A1HSD17B1HSD17B2HSD17B10NQO2
SCHEMBL13680541 0.79 HSD17B10 (0.79) ALDH1A1HSD17B1HSD17B2HSD17B10NQO2

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-8415479-B2 Inhibitor of plasminogen activator inhibitor-1 RENASCIENCE CO., LTD. (JP) 2013-04-09 US disclosed
US-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 RENASCIENCE CO., LTD. (JP) 2011-05-12 US disclosed
EP-2272822-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 Renascience CO., LTD. (JP) 2011-01-12 EP 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-20110112140-A1 INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 SERPINE1, SERPINB1, SERPINC1 ALDH1A1 888/4885MAP4K4 2958/4885HSD17B1 1497/4885

“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.