SCHEMBL784912

SCHEMBL784912

COC(=O)c1cc(F)c2c(c1)C(N1Cc3cccc(Cl)c3C1=O)CCO2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.40
MAPT P10636 3/20 0.36
NR1H4 Q96RI1 2/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL784913 1.00 MAPK14 (0.40) MAPK14MAPTNR1H4POLBALDH1A1
SCHEMBL785239 0.89 MAPT (0.36) MAPTNR1H4POLBALDH1A1
SCHEMBL785025 0.89 MAPT (0.36) MAPTNR1H4POLBALDH1A1
SCHEMBL785375 0.84 MAPT (0.38) MAPK14MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL785374 0.84 MAPT (0.38) MAPK14MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL876338 0.83 MAPT (0.35) MAPTPOLBALDH1A1
SCHEMBL785796 0.79 MAPT (0.40) MAPK14MAPTALDH1A1
SCHEMBL484526 0.79 MAPT (0.40) MAPK14MAPTALDH1A1
SCHEMBL785419 0.78 BDKRB1 (0.39) POLB
SCHEMBL2816793 0.78 MAPT (0.40) MAPK14MAPTPOLBALDH1A1SMN1; SMN2

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MAPK14 2793/4885MAPT 3149/4885NR1H4 716/4885

“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.