SCHEMBL6796833

SCHEMBL6796833

CC(=O)Nc1ccc(F)c(Nc2ncccc2[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 8/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HTT P42858 2/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MCL1 Q07820 1/20 0.45
PTK2B Q14289 1/20 0.45
SMN1; SMN2 Q16637 3/20 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
SCHEMBL6797523 0.82 MEN1 (0.63) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6803502 0.81 HDAC1 (0.50) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL11554266 0.81 MEN1 (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6792229 0.80 MEN1 (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9687003 0.78 LMNA (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6790858 0.77 MEN1 (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL11551932 0.77 MEN1 (0.65) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL584346 0.75 ALDH1A1 (0.73) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL6798538 0.75 MAPT (0.56) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15953535 0.74 MEN1 (0.52) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 MEN1 2703/4885KMT2A 968/4885MAPT 4677/4885

“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.