SCHEMBL4976405

SCHEMBL4976405

CC(=O)On1cnc2cccc([N+](=O)[O-])c21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.52
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
HCAR1 Q9BXC0 1/20 0.40
ALDH1A1 P00352 7/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
STAT1 P42224 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL27645595 0.93 FGFR1 (0.46) FGFR1MEN1KMT2APOLBHCAR1
SCHEMBL27645618 0.77 CYP2C9 (0.34) FGFR1KMT2APOLBHCAR1ALDH1A1
SCHEMBL27645619 0.77 FGFR1 (0.33) FGFR1KMT2APOLBALDH1A1NPC1
SCHEMBL27645569 0.77 PSMB8 (0.37) FGFR1KMT2AHCAR1ALDH1A1SMN1; SMN2
SCHEMBL14283222 0.76 FGFR1 (0.52) FGFR1MEN1KMT2APOLBALDH1A1
SCHEMBL29346035 0.75 FGFR1 (0.61) FGFR1POLBALDH1A1NPC1RAB9A
SCHEMBL4040299 0.75 NOTUM (0.37) FGFR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27625206 0.74 AR (0.40) POLBHCAR1
SCHEMBL3038552 0.72 FGFR1 (0.54) FGFR1MEN1KMT2APOLBHCAR1
SCHEMBL27625200 0.72 POLB (0.33) FGFR1MEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN claimed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN 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-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 FGFR1 843/4885MEN1 1446/4885KMT2A 2077/4885

“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.