SCHEMBL1800701

SCHEMBL1800701

Cc1sc(N)c(C(=O)OC(C)(C)C)c1-c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
GRM6 O15303 2/20 0.51
HSD17B10 Q99714 1/20 0.45
CISD2 Q8N5K1 1/20 0.41
CDC7 O00311 5/20 0.39
DBF4 Q9UBU7 5/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
GPR55 Q9Y2T6 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CYP17A1 P05093 1/20 0.36
FHIT P49789 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL419736 0.86 ALDH1A1 (0.69) MAPTALDH1A1HPGDTDP1GRM6
SCHEMBL1796571 0.85 GRM6 (0.53) MAPTALDH1A1HPGDTDP1GRM6
SCHEMBL10489614 0.84 TP53 (0.55) MAPTALDH1A1HPGDTDP1GRM6
SCHEMBL1800474 0.80 ALDH1A1 (0.52) MAPTALDH1A1HPGDTDP1GRM6
SCHEMBL10633454 0.74 GRM6 (0.60) MAPTALDH1A1HPGDGRM6HSD17B10
SCHEMBL1797940 0.73 ALDH1A1 (0.45) MAPTALDH1A1HPGDTP53POLB
SCHEMBL14699510 0.71 GRM6 (0.55) MAPTALDH1A1HPGDGRM6HSD17B10
SCHEMBL2180324 0.71 ALDH1A1 (0.74) MAPTALDH1A1HPGDTDP1GRM6
SCHEMBL7690980 0.70 CSNK1A1 (0.68) ALDH1A1HPGDGRM6HSD17B10CDC7
SCHEMBL4000814 0.69 MAPT (0.56) MAPTALDH1A1HPGDTDP1GRM6

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-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 MAPT 2975/4885ALDH1A1 800/4885HPGD 920/4885

“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.