SCHEMBL4496210

SCHEMBL4496210

COc1cc(/C=C/C=C(\C#N)C(=O)NCc2ccc(O)c(O)c2)cc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.57
MAOB P27338 2/20 0.54
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
MITF O75030 1/20 0.50
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.46
JUN P05412 1/20 0.45
DNM1 Q05193 2/20 0.44
ERBB2 P04626 1/20 0.43

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
SCHEMBL4496214 1.00 EGFR (0.57) EGFRMAOBMAPTMEN1KMT2A
SCHEMBL13678134 0.93 EGFR (0.56) EGFRMAOBMAPTMEN1KMT2A
SCHEMBL4484526 0.90 MAOB (0.62) EGFRMAOBMAPTMEN1KMT2A
SCHEMBL4484516 0.90 MAOB (0.62) EGFRMAOBMAPTMEN1KMT2A
SCHEMBL13678136 0.90 MITF (0.64) EGFRMAOBMAPTMEN1KMT2A
SCHEMBL4475751 0.85 MAOB (0.68) EGFRMAOBMAPTMEN1KMT2A
SCHEMBL4475745 0.85 MAOB (0.68) EGFRMAOBMAPTMEN1KMT2A
SCHEMBL3437189 0.81 MAOB (0.63) EGFRMAOBMAPTMEN1KMT2A
SCHEMBL4490392 0.81 MAOB (0.65) EGFRMAOBMAPTMEN1KMT2A
SCHEMBL4490386 0.81 MAOB (0.65) EGFRMAOBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598419-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2009-10-06 US disclosed
US-7598419-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2009-10-06 US disclosed
US-7598419-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2009-10-06 US disclosed
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2007-10-18 US disclosed
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2007-10-18 US disclosed
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2007-10-18 US disclosed
EP-1727822-A4 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2007-05-09 EP disclosed
EP-1727822-A1 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2006-12-06 EP disclosed
WO-2005092904-A1 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2005-10-06 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-20070243612-A1 Novel Compounds for Modulating Cell Proliferation MKI67, CCNA1, PCNA EGFR 1713/4885MAOB 3511/4885MAPT 4784/4885

“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.