SCHEMBL5416945

SCHEMBL5416945

C1CC2CC2C1.CCn1ncc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL28534811 0.87 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL18359303 0.74 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL27468547 0.74 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL570007 0.73 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL10775005 0.73 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL10916809 0.72 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL7513902 0.71 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL22119164 0.70 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL3998201 0.68 GAA (0.58) HPGDMEN1KMT2AGAATDP1
SCHEMBL2770680 0.68 MEN1 (0.46) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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 5 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

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 SMN1; SMN2 3412/4885ALDH1A1 1668/4885LMNA 2864/4885
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 SMN1; SMN2 3665/4885ALDH1A1 1481/4885LMNA 3065/4885

“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.