SCHEMBL7328104

SCHEMBL7328104

Nc1cc(-c2cccnc2)nn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
USP8 P40818 1/20 0.48
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA4 P43681 1/20 0.45
PKM P14618 1/20 0.45
F12 P00748 1/20 0.45
MEN1 O00255 2/20 0.45

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
SCHEMBL7327417 0.83 USP8 (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL2730578 0.83 RAB9A (0.63) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL7314318 0.82 USP8 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL7233236 0.82 USP8 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL7239521 0.82 PKM (0.48) SMN1; SMN2ALDH1A1MAPTCA12CA1
SCHEMBL7233586 0.82 MAPT (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL7234719 0.82 EPHX2 (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL7315513 0.82 CA1 (0.52) SMN1; SMN2RAB9AALDH1A1MAPTCA12
SCHEMBL7685096 0.82 USP8 (0.70) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL30229690 0.82 RAB9A (0.67) NPY5RSMN1; SMN2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 NPY5R 1235/4885SMN1; SMN2 4665/4885RAB9A 4227/4885

“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.