SCHEMBL1018770

SCHEMBL1018770

Nc1ccc(F)c(-c2ccoc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
ERN1 O75460 1/20 0.41
RET P07949 1/20 0.39
CSNK2A1 P68400 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
BRD4 O60885 1/20 0.36
ESR2 Q92731 1/20 0.35
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
IMPDH2 P12268 2/20 0.34
PELI1 Q96FA3 2/20 0.33
FYN P06241 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7453950 0.81 CSNK2A1 (0.40) ERN1RETCSNK2A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7453311 0.79 CSNK2A1 (0.42) RETCSNK2A1CYP1A2CYP3A4ALDH1A1
SCHEMBL5795534 0.78 ALDH1A1 (0.43) RETCSNK2A1CYP3A4ALDH1A1RAF1
SCHEMBL1383424 0.78 PELI1 (0.54) ERN1RETCSNK2A1CYP3A4ALDH1A1
SCHEMBL6873485 0.77 CSNK2A1 (0.44) ERN1RETCSNK2A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6288472 0.76 PELI1 (0.53) ERN1RETCSNK2A1CYP3A4ALDH1A1
SCHEMBL3786455 0.76 MAP4K4 (0.53) MAP4K4CYP3A4ALDH1A1BRD4RAF1
SCHEMBL5704889 0.76 PELI1 (0.44) ERN1RETCSNK2A1CYP3A4ALDH1A1
SCHEMBL29527611 0.75 CDK8 (0.40) CSNK2A1CYP1A2CYP3A4ALDH1A1CLK4
SCHEMBL2813076 0.75 BRD4 (0.50) MAP4K4CYP3A4ALDH1A1BRD4MEN1

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 MAP4K4 2958/4885ERN1 1102/4885RET 3750/4885

“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.