SCHEMBL7686440

SCHEMBL7686440

CCCc1nn(C)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
PDE5A O76074 1/20 0.41
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.36
MITF O75030 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL18049571 0.84 L3MBTL1 (0.42) SMN1; SMN2L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL18049623 0.84 L3MBTL1 (0.46) SMN1; SMN2L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL1559603 0.80 L3MBTL1 (0.48) SMN1; SMN2L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL28125498 0.80 L3MBTL1 (0.44) SMN1; SMN2L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL19207788 0.78 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPTLMNAMITF
SCHEMBL18418903 0.77 L3MBTL1 (0.42) SMN1; SMN2L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL2183233 0.77 L3MBTL1 (0.42) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL19207586 0.76 TNF (0.48) SMN1; SMN2L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL21964566 0.73 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTPOLBLMNA
SCHEMBL13294997 0.73 USP2 (0.34) SMN1; SMN2L3MBTL1POLBPDE5ALMNA

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
CN-103044330-B The new green synthesizing process of silaenafil intermediate 4- amino -1- methyl -3- n-propyl pyrazoles -5- formamides 常州亚邦制药有限公司 2018-11-13 CN disclosed
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-6444816-B1 DIETETICS, ANTICHOLESTEROL AGENTS, ANTIDIABETIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-09-03 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 (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-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS PDE5A, PDE7A, PDE3A SMN1; SMN2 1886/4885L3MBTL1 4848/4885ALDH1A1 475/4885

“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.