SCHEMBL3034265

SCHEMBL3034265

CC1=CC(c2ccc(O)cc2Cl)C(C#N)=C(C)N1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
NR3C2 P08235 1/20 0.39
ESR1 P03372 10/20 0.37
AR P10275 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ESR2 Q92731 3/20 0.33
LMNA P02545 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33

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
SCHEMBL3033766 0.81 KDM4E (0.56) KDM4ENR3C2ESR1ARALDH1A1
SCHEMBL13236489 0.76 KDM4E (0.51) KDM4ENR3C2ESR1ARALDH1A1
SCHEMBL8259771 0.64 NR3C2 (0.67) KDM4ENR3C2ALDH1A1
SCHEMBL14273571 0.63 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AMEN1ESR2
SCHEMBL4999675 0.62 MET (0.36) KDM4ENR3C2ARALDH1A1LMNA
SCHEMBL7814851 0.61 ALDH1A1 (0.60) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL13685506 0.61 KDM4E (0.52) KDM4ENR3C2ALDH1A1KMT2AMEN1
SCHEMBL30162537 0.60 KDM4E (0.50) KDM4ENR3C2ALDH1A1KMT2AMEN1
SCHEMBL20954628 0.60 KDM4E (0.50) KDM4ENR3C2ALDH1A1KMT2AMEN1
SCHEMBL9909094 0.59 KDM4E (0.40) KDM4EARALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 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-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 KDM4E 4759/4885NR3C2 3147/4885ESR1 2749/4885

“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.