SCHEMBL5417394

SCHEMBL5417394

CCn1nc(C2CCCCC2)c([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CHRNA7 P36544 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL5414707 0.90 SMN1; SMN2 (0.36) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL27567012 0.86 ALDH1A1 (0.39) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL8031279 0.81 SMN1; SMN2 (0.38) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL5418794 0.80 SMN1; SMN2 (0.36) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL5416311 0.75 MAPT (0.57) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL5419298 0.72 MAPT (0.41) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL4001733 0.72 SMN1; SMN2 (0.52) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL5410005 0.71 MAPT (0.54) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL1196 0.71 SMN1; SMN2 (0.58) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL5418912 0.71 SMN1; SMN2 (0.40) ALDH1A1MAPTPOLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232816-B2 Substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medical products and processes for preparing them PFIZER, INC. (US) 2007-06-19 — — US disclosed
US-6962912-B2 Substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them WARNER-LAMBERT LLC (US) 2005-11-08 — — US disclosed
US-20050130957-A1 Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medical products and processes for preparing them PFIZER INC. 2005-06-16 — — US disclosed
EP-1248787-B1 NOVEL SUBTITUTED PYRAZOLO[4,3-e]DIAZEPINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, USE AS MEDICINAL PRODUCTS AND PROCESSES FOR PREPARING THEM WARNER LAMBERT CO (US) 2004-10-06 — — EP disclosed
US-20030171364-A1 Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them BURNOUF CATHERINE (FR) 2003-09-11 — — US disclosed
CN-1420888-A Novel substituted pyrazolo [4,3-e ] diazepine *, pharmaceutical compositions comprising such compounds, their use as medicaments and processes for their preparation WARNER LAMBERT CO (US) 2003-05-28 — — CN 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 (2 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-20050130957-A1 Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medical products and processes for preparing them ADRA2C, CYP3A5, CYP2C19 ALDH1A1 1668/4885MAPT 1453/4885POLB 4308/4885
US-20030171364-A1 Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them CYP3A5, THPO, CYP3A4 ALDH1A1 1481/4885MAPT 1898/4885POLB 4083/4885

“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.

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