SCHEMBL1897544

SCHEMBL1897544

CCC(=Cc1c(Oc2ccc([N+](=O)[O-])cc2)ccnc1N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
TBXA2R P21731 4/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
SRD5A2 P31213 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 3/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ATM Q13315 1/20 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
SCHEMBL1893903 0.87 BTK (0.35) KDRRAB9AMEN1KMT2AMAPT
SCHEMBL3504189 0.79 PDGFRA (0.41) PDGFRAKDRRAB9AALDH1A1MEN1
SCHEMBL3504192 0.79 PDGFRA (0.41) PDGFRAKDRRAB9AALDH1A1MEN1
SCHEMBL1897540 0.78 KMT2A (0.44) PDGFRAKDRTBXA2RRAB9AALDH1A1
SCHEMBL1897543 0.78 KMT2A (0.44) PDGFRAKDRTBXA2RRAB9AALDH1A1
SCHEMBL1897761 0.78 KDR (0.49) PDGFRAKDR
SCHEMBL1897541 0.77 PDGFRA (0.41) PDGFRAKDRALDH1A1MEN1KMT2A
SCHEMBL14540961 0.73 HTT (0.48) PDGFRAKDRRAB9AALDH1A1MEN1
SCHEMBL1894149 0.71 ALDH1A1 (0.46) PDGFRAKDRRAB9AALDH1A1MEN1
SCHEMBL275826 0.70 ALDH1A1 (0.50) RAB9AALDH1A1MEN1KMT2APTGS2

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 22/4885TBXA2R 593/4885
US-20110118470-A1 NITROGEN-CONTAINING AROMATIC DERIVATIVES GNG2, GCG, FRG1 PDGFRA 3135/4885KDR 2782/4885TBXA2R 1110/4885

“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.