SCHEMBL1774571

SCHEMBL1774571

Cc1n[nH]c(C)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
MAPT P10636 9/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 3/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 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
SCHEMBL19306615 0.89 MAPT (0.47) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31686443 0.82 ADORA2A (0.44) HTTCYP1A2CYP2D6CYP2C9CYP2C19
Pyrazole SCHEMBL28225731 0.82 MAPT (0.43) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6684736 0.80 ADORA2A (0.42) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14295796 0.80 HTT (0.50) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2549734 0.78 ADORA2A (0.41) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9354812 0.78 ADORA2A (0.41) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20640620 0.78 MAPT (0.51) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9354794 0.78 HTT (0.49) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13866122 0.78 HTT (0.49) HTTCYP1A2CYP2D6CYP2C9CYP2C19

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 1123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777322-B Biodegradable closed isocyanate chain extender, and preparation method and application thereof 浙江工业大学 2025-03-04 CN claimed
CN-117777322-A Biodegradable closed isocyanate chain extender, and preparation method and application thereof 浙江工业大学 2024-03-29 CN claimed
CN-112876689-B Metal-organic framework material and preparation method and application thereof 江苏科技大学 2022-05-10 CN claimed
WO-2022039927-A1 ONE-COMPONENT WATERBORNE POLYURETHANE SELF-HEALING COATINGS USING HYDROPHOBIC BLOCKED POLYISOCYANATES COVESTRO LLC (US) 2022-02-24 WO claimed
CN-112876689-A Metal-organic framework material and preparation method and application thereof 江苏科技大学 2021-06-01 CN claimed
EP-1535939-B1 Blocked polyisocyanate BAYER MATERIALSCIENCE LLC (US) 2008-05-21 EP claimed
US-20070149750-A1 Solid powder coating crosslinker BAYER MATERIALSCIENCE LLC 2007-06-28 US claimed
US-20050245718-A1 Solid powder coating crosslinker BAYER MATERIALSCIENCE LLC 2005-11-03 US claimed
EP-1535939-A1 Blocked polyisocyanate Bayer MaterialScience LLC (US) 2005-06-01 EP claimed
US-20050113548-A1 Solid powder coating crosslinker BAYER MATERIALSCIENCE LLC 2005-05-26 US claimed
US-6448363-B1 TRIAZOLE AND PYRAZOLE BLOCKED; FOR PRODUCTION OF POLYURETHANE POWDER COATINGS DEGUSSA AG (DE) 2002-09-10 US claimed
US-20020055603-A1 Coating composition FIGGE HANS-JURGEN (DE) 2002-05-09 US claimed
US-6355761-B1 Coating composition BASF COATINGS AG (DE) 2002-03-12 US claimed
US-20020028948-A1 Process for preparing highly reactive (semi) crystalline and amorphous blocked polyisocyanates DEGUSSA AG (DE) 2002-03-07 US claimed
EP-1170316-A1 Process for producing highly reactive (semi)crystalline and amorphous blocked polyisocyanates Degussa AG (DE) 2002-01-09 EP claimed
EP-0749448-B1 USE OF PYRAZOLE-BLOCKED POLYISOCYANATES IN ONE-COMPONENT CLEAR COATINGS ARCO CHEM TECH (US) 2001-05-30 EP claimed
EP-0959085-A1 Coatings containing blocked polyurethane prepolymers and their use BASF Coatings AG (DE) 1999-11-24 EP claimed
EP-0749448-A1 ISOCYANATE-CROSSLINKED COATINGS HAVING REDUCED YELLOWING OLIN CORPORATION (US) 1996-12-27 EP claimed
EP-0749448-A4 ISOCYANATE-CROSSLINKED COATINGS HAVING REDUCED YELLOWING OLIN CORP (US) 1996-06-19 EP claimed
WO-1995006674-A1 ISOCYANATE-CROSSLINKED COATINGS HAVING REDUCED YELLOWING OLIN CORPORATION (US) 1995-03-09 WO claimed

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-20020028948-A1 Process for preparing highly reactive (semi) crystalline and amorphous blocked polyisocyanates RIN1, C1R, C1S HTT 2039/4885CYP1A2 149/4885CYP2D6 466/4885

“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.