Sugi Predict

Sugi Predict / Compounds / SCHEMBL5170705

SCHEMBL5170705

SCHEMBL5170705

CC(N)(C#N)Cn1ncc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 1/20 0.56
▸ SLC6A2 P23975 1/20 0.36
▸ AR P10275 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ TXNRD3 Q86VQ6 1/20 0.33
▸ TXNRD2 Q9NNW7 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL5347812 0.77 GLS (0.70) GLSSLC6A2MAPTNPC1CYP1A2
SCHEMBL205151 0.74 MAPT (0.43) MAPTNPC1ALDH1A1LMNATXNRD1
SCHEMBL10982770 0.74 GLS (0.70) GLSSLC6A2MAPTNPC1CYP1A2
SCHEMBL3808355 0.74 GLS (0.70) GLSMAPTNPC1CYP1A2CYP19A1
SCHEMBL31304655 0.74 GLS (0.65) GLSSLC6A2MAPTNPC1CYP1A2
SCHEMBL17060346 0.74 GLS (0.65) GLSSLC6A2MAPTNPC1CYP1A2
SCHEMBL5445380 0.74 GLS (0.65) GLSSLC6A2MAPTNPC1CYP1A2
SCHEMBL15910792 0.73 GLS (0.64) GLSSLC6A2MAPTNPC1CYP1A2
SCHEMBL205479 0.73 GLS (0.64) GLSSLC6A2MAPTNPC1CYP1A2
SCHEMBL5171603 0.72 GLS (0.41) GLSARMAPTSMN1; 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-7250436-B2 Indazole-aminoacetonitrile derivatives having special pesticidal activity NOVARTIS ANIMAL HEALTH US, INC. (US) 2007-07-31 — — US disclosed
EP-1534684-B1 INDAZOLE-AMINOACETONITRILE DERIVATIVES HAVING SPECIAL PESTICIDAL ACTIVITY NOVARTIS AG (CH) 2007-05-02 — — EP disclosed
US-20060025466-A1 Indazole-aminoacetonitrile derivatives having special pesticidal activity NOVARTIS ANIMAL HEALTH US, INC. 2006-02-02 — — US disclosed
EP-1534684-A1 INDAZOLE-AMINOACETONITRILE DERIVATIVES HAVING SPECIAL PESTICIDAL ACTIVITY Novartis AG (CH) 2005-06-01 — — EP disclosed
CN-1545504-A Indazole-aminoacetonitrile derivatives with special insecticidal activity ��˹��ŵ�� 2004-11-10 — — CN disclosed
WO-2003104202-A1 INDAZOLE-AMINOACETONITRILE DERIVATIVES HAVING SPECIAL PESTICIDAL ACTIVITY NOVARTIS AG (CH) 2003-12-18 — — 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-20060025466-A1 Indazole-aminoacetonitrile derivatives having special pesticidal activity ACHE, ADORA1, IDO1 GLS 2467/4885SLC6A2 2434/4885AR 97/4885

“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.