SCHEMBL9951768

SCHEMBL9951768

O=C(O)N1CCCC(n2cc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ACHE P22303 3/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
L3MBTL3 Q96JM7 2/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL14763708 0.95 F2 (0.42) ALDH1A1KMT2AMEN1ACHEF2
SCHEMBL16049822 0.90 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1ACHEF2
SCHEMBL19513971 0.87 F2 (0.40) ALDH1A1KMT2AMEN1F2PLAU
SCHEMBL20476042 0.87 F2 (0.40) ALDH1A1KMT2AMEN1F2PLAU
SCHEMBL22518574 0.83 TDP1 (0.46) ALDH1A1KMT2AMEN1F2PLAU
SCHEMBL2184349 0.83 MAP3K7 (0.49) ALDH1A1MAP3K7TAB1
SCHEMBL30955791 0.83 DDB1 (0.49) ALDH1A1CYP1A2CYP2D6
SCHEMBL30955756 0.83 DDB1 (0.49) ALDH1A1CYP1A2CYP2D6
SCHEMBL9951949 0.83 DDB1 (0.49) ALDH1A1CYP1A2CYP2D6
SCHEMBL16975385 0.82 ACHE (0.45) ALDH1A1KMT2AACHEF2PLAU

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
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 ALDH1A1 875/4885KMT2A 3615/4885MEN1 3827/4885

“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.