SCHEMBL6797500

SCHEMBL6797500

O=[N+]([O-])c1cccnc1Nc1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
FFAR4 Q5NUL3 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
RAB9A P51151 2/20 0.48
HTR6 P50406 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
LRRK2 Q5S007 1/20 0.47
NAT1 P18440 1/20 0.47
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 3/20 0.45
PKM P14618 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL29967708 0.84 MEN1 (0.61) MAPTFFAR4MEN1KMT2ARAB9A
SCHEMBL29023901 0.84 MEN1 (0.61) MAPTFFAR4MEN1KMT2ARAB9A
SCHEMBL2177925 0.81 MAPT (0.69) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL6804751 0.81 HTR6 (0.59) FFAR4MEN1KMT2AHTR6CA12
SCHEMBL6797321 0.80 MAPT (0.55) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL6799279 0.80 MAPT (0.58) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL6798323 0.79 MAPT (0.54) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL7830242 0.77 MAPT (0.61) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL6796960 0.77 TLR4 (0.53) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL6796952 0.77 TLR4 (0.53) MAPTMEN1KMT2ARAB9AMAPK1

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 10 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
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN 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 MAPT 4677/4885FFAR4 2177/4885MEN1 2703/4885

“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.