SCHEMBL272248

SCHEMBL272248

CCOc1cc(C=C(C#N)C#N)cc(OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.53
MAPT P10636 10/20 0.47
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 6/20 0.47
CYP3A4 P08684 5/20 0.47
HPGD P15428 5/20 0.47
NFKB1 P19838 5/20 0.47
BLM P54132 5/20 0.47
PMP22 Q01453 5/20 0.47
NPSR1 Q6W5P4 4/20 0.47
TSHR P16473 4/20 0.47
CYP1A2 P05177 4/20 0.47
APEX1 P27695 1/20 0.47
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
LMNA P02545 6/20 0.47
CYP2C9 P11712 4/20 0.47
ALOX15 P16050 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HIF1A Q16665 4/20 0.47

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
SCHEMBL21457261 0.83 ALDH1A1 (0.52) EGFRMAPTALDH1A1KDM4ECYP3A4
SCHEMBL6835186 0.82 MAPT (0.66) EGFRMAPTALDH1A1KDM4ECYP3A4
SCHEMBL27960908 0.79 ALDH1A1 (0.67) EGFRMAPTALDH1A1KDM4ECYP3A4
SCHEMBL15345480 0.76 ESR1 (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL16954674 0.72 ESR1 (0.47) MAPTALDH1A1KDM4ECYP3A4TSHR
SCHEMBL16956638 0.72 ESR1 (0.41) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL2761526 0.71 EGFR (0.64) EGFRMAPTALDH1A1KDM4ECYP3A4
SCHEMBL13936251 0.71 EGFR (0.64) EGFRMAPTALDH1A1KDM4ECYP3A4
SCHEMBL1683212 0.71 NQO1 (0.65) MAPTALDH1A1KDM4ECYP3A4HPGD
SCHEMBL8609619 0.70 EGFR (1.00) EGFRMAPTALDH1A1KDM4ECYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
WO-2008121506-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO disclosed
WO-2008121506-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO 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-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 EGFR 3090/4885MAPT 3373/4885ALDH1A1 1131/4885

“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.