SCHEMBL6796682

SCHEMBL6796682

O=[N+]([O-])c1cccnc1Nc1cccc(/C=C/c2cncc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.47
TLR2 O60603 3/20 0.47
MAPT P10636 7/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KCNH2 Q12809 1/20 0.40
EGFR P00533 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PIN1 Q13526 1/20 0.39

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
SCHEMBL6796689 1.00 TLR4 (0.47) TLR4TLR2MAPTMEN1KMT2A
SCHEMBL6797897 0.89 MAPT (0.51) TLR4TLR2MAPTMEN1KMT2A
SCHEMBL6797900 0.89 MAPT (0.51) TLR4TLR2MAPTMEN1KMT2A
SCHEMBL7365969 0.88 TLR4 (0.47) TLR4TLR2MAPTMEN1KMT2A
SCHEMBL7365963 0.88 TLR4 (0.47) TLR4TLR2MAPTMEN1KMT2A
SCHEMBL7365973 0.88 TLR4 (0.47) TLR4TLR2MAPTMEN1KMT2A
SCHEMBL6794718 0.88 TLR4 (0.57) TLR4TLR2MAPTMEN1KMT2A
SCHEMBL6794714 0.88 TLR4 (0.57) TLR4TLR2MAPTMEN1KMT2A
SCHEMBL7362736 0.88 TLR4 (0.47) TLR4TLR2MAPTMEN1KMT2A
SCHEMBL7362733 0.88 TLR4 (0.47) TLR4TLR2MAPTMEN1KMT2A

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-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
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 TLR4 4105/4885TLR2 2204/4885MAPT 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.