SCHEMBL4362875

SCHEMBL4362875

O=[N+]([O-])c1ccc(Oc2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HTT P42858 3/20 0.56
LMNA P02545 4/20 0.46
MAPT P10636 4/20 0.46
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE7A Q13946 1/20 0.41
MMP13 P45452 1/20 0.41
RAF1 P04049 1/20 0.41
MERTK Q12866 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
HSPB1 P04792 2/20 0.40
CASP6 P55212 1/20 0.40
LRRK2 Q5S007 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
SCHEMBL4543292 0.87 ALDH1A1 (0.64) ALDH1A1HTTLMNAMAPTCYP3A4
SCHEMBL7801913 0.85 MAPT (0.55) ALDH1A1HTTLMNAMAPTTSHR
SCHEMBL29115338 0.83 ALDH1A1 (0.42) ALDH1A1HTTLMNAMAPTCYP3A4
SCHEMBL10717379 0.82 ALDH1A1 (0.55) ALDH1A1HTTCYP3A4TSHRTDP1
SCHEMBL29397856 0.82 PDE7A (0.45) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL28708361 0.82 PDE7A (0.45) ALDH1A1HTTLMNAMAPTSMN1; SMN2
SCHEMBL3021071 0.81 LMNA (0.64) ALDH1A1HTTLMNAMAPTCYP3A4
SCHEMBL10858207 0.81 ALDH1A1 (0.54) ALDH1A1HTTLMNAMAPTCYP3A4
SCHEMBL12798830 0.81 ALDH1A1 (0.54) ALDH1A1HTTLMNAMAPTCYP3A4
SCHEMBL11777721 0.80 ALDH1A1 (0.57) ALDH1A1HTTLMNAMAPTCYP3A4

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-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS ALDH1A1 255/4885HTT 1040/4885LMNA 2395/4885

“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.