SCHEMBL6797629

SCHEMBL6797629

Cc1ncc(-c2cccc([N+](=O)[O-])c2)n1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GFER P55789 2/20 0.51
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 2/20 0.46
ACHE P22303 1/20 0.46
PGR P06401 1/20 0.46
CYP1A2 P05177 1/20 0.46
IDO1 P14902 1/20 0.46
PKM P14618 1/20 0.45
AMY1A P0DUB6 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL6754386 0.82 CFTR (0.50) GAAALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL26965160 0.82 KMT2A (0.58) GAAALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL6756858 0.81 GAA (0.52) GAAALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL6756818 0.79 POLB (0.42) GAAALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL6755660 0.79 DYRK1A (0.38) GAAALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL6756596 0.77 GAA (0.41) GAAALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL25252232 0.75 IDO1 (0.57) GAAALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL27088364 0.75 KEAP1 (0.49) GAAALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL6754326 0.74 MAP4K4 (0.49) MAPTRAB9AMEN1NPC1TSHR
SCHEMBL7128738 0.74 MAPT (0.51) GAAALDH1A1MAPTKDM4EKMT2A

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-20040266774-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
US-6770667-B1 N-((IMIDAZOLYL)-PHENYL)-FLUORENE-1-CARBOXAMIDE DERIVATIVES; 5-HYDROXYTRYPTAMINE (5-HT) ANTAGONISTS; PSYCHOLOGICAL, NERVOUS SYSTEM, EATING, BRAIN AND SLEEP DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-03 US disclosed
EP-1216240-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-26 EP disclosed
WO-2001025229-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-12 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-20040266774-A1 Amide compounds TPH1, HTR1A, HTR5A GAA 3473/4885ALDH1A1 386/4885L3MBTL1 4097/4885

“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.