SCHEMBL7117265

SCHEMBL7117265

O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.59
▸ KMT2A Q03164 10/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ MAPT P10636 9/20 0.59
▸ POLB P06746 5/20 0.59
▸ BLM P54132 1/20 0.59
▸ RAB9A P51151 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ HTT P42858 3/20 0.57
▸ TNF P01375 2/20 0.57
▸ NOD1 Q9Y239 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ CTDSP1 Q9GZU7 2/20 0.57
▸ POLA1 P09884 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ DDX3X O00571 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ P2RX1 P51575 1/20 0.56
▸ NPC1 O15118 4/20 0.54
▸ NFKB1 P19838 1/20 0.52

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
SCHEMBL874268 0.88 KMT2A (0.67) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL6841093 0.82 MEN1 (0.71) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL22820170 0.79 KMT2A (0.67) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL2700423 0.79 MEN1 (0.74) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL15740330 0.79 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL28579320 0.78 KCNMA1 (0.67) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12225779 0.77 MEN1 (0.70) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL30339331 0.77 MEN1 (0.67) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL29168825 0.77 MEN1 (0.67) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL14018746 0.77 MEN1 (0.67) MEN1KMT2AALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 — — US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 — — 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 MEN1 244/4885KMT2A 263/4885ALDH1A1 2482/4885

“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.

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