SCHEMBL1897541

SCHEMBL1897541

CC/C(=C\C(=O)O)c1c(Oc2ccc([N+](=O)[O-])cc2)ccnc1N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PTGS2 P35354 2/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
SRD5A2 P31213 1/20 0.37
MAPT P10636 3/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL1893901 0.87 BTK (0.35) PDGFRAKDRMEN1KMT2AMAPT
SCHEMBL1897756 0.78 KDR (0.49) PDGFRAKDR
SCHEMBL1897544 0.77 PDGFRA (0.41) PDGFRAKDRMEN1KMT2APTGS2
SCHEMBL3504189 0.75 PDGFRA (0.41) PDGFRAKDRMEN1KMT2ASRD5A2
SCHEMBL3504192 0.75 PDGFRA (0.41) PDGFRAKDRMEN1KMT2ASRD5A2
SCHEMBL14540961 0.73 HTT (0.48) PDGFRAKDRMEN1KMT2AMAPT
SCHEMBL1897543 0.72 KMT2A (0.44) PDGFRAKDRMEN1KMT2APTGS2
SCHEMBL1897540 0.72 KMT2A (0.44) PDGFRAKDRMEN1KMT2APTGS2
SCHEMBL1894149 0.71 ALDH1A1 (0.46) PDGFRAKDRMEN1KMT2ASRD5A2
SCHEMBL4272426 0.70 TDP1 (0.53) MEN1KMT2ASRD5A2ALDH1A1

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-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES FUNAHASHI YASUHIRO 2011-05-19 US disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 US disclosed
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-03-18 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 (2 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-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective VEGFA, UACA, UTS2R PDGFRA 1572/4885KDR 22/4885MEN1 3116/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 PDGFRA 3135/4885KDR 2782/4885MEN1 2172/4885

“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.