SCHEMBL6796823

SCHEMBL6796823

O=C(c1ccccc1)c1cccc(Nc2ncccc2[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MAPT P10636 6/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPK1 P28482 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.50
DHODH Q02127 2/20 0.50
KCNH2 Q12809 1/20 0.50
AKR1C4 P17516 2/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 0.48
AR P10275 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
VCAM1 P19320 1/20 0.47

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
SCHEMBL6798177 0.90 KMT2A (0.65) KMT2AMAPTNPC1RAB9AMAPK1
SCHEMBL6797348 0.88 MAPT (0.54) KMT2AMAPTNPC1RAB9AMAPK1
SCHEMBL6798921 0.86 MAPT (0.57) KMT2AMAPTNPC1RAB9AMAPK1
SCHEMBL6796875 0.86 KCNK3 (0.56) KMT2AMAPTNPC1RAB9AMAPK1
SCHEMBL27362918 0.83 MAPT (0.56) KMT2AMAPTNPC1RAB9AMAPK1
SCHEMBL2177925 0.83 MAPT (0.69) KMT2AMAPTNPC1RAB9AMAPK1
SCHEMBL6800880 0.82 MAPT (0.44) KMT2AMAPTNPC1RAB9AMAPK1
SCHEMBL6797321 0.82 MAPT (0.55) KMT2AMAPTNPC1RAB9AMAPK1
SCHEMBL6796778 0.81 MAPT (0.55) KMT2AMAPTNPC1RAB9AMAPK1
SCHEMBL6796774 0.81 MAPT (0.55) KMT2AMAPTNPC1RAB9AMAPK1

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 7 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
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 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 KMT2A 968/4885MAPT 4677/4885NPC1 875/4885

“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.