SCHEMBL589550

SCHEMBL589550

CN1CCC(Oc2cc[c]c([N+](=O)[O-])c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SIRT6 Q8N6T7 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL6598664 0.88 PARP1 (0.41) PARP1ALDH1A1CYP2D6
SCHEMBL956959 0.77 MAOA (0.48) MAOAMAOBHRH3PARP1SMN1; SMN2
SCHEMBL589704 0.76 HRH3 (0.47) MAOAMAOBHRH3PARP1SMN1; SMN2
SCHEMBL374672 0.76 SLC6A2 (0.60) MAOAMAOBHRH3SMN1; SMN2LMNA
SCHEMBL25725414 0.75 LMNA (0.58) MAOAMAOBHRH3PARP1SMN1; SMN2
SCHEMBL3274096 0.75 HRH3 (0.55) MAOAMAOBHRH3SMN1; SMN2SIRT6
SCHEMBL22348656 0.74 MAPT (0.54) MAOAMAOBHRH3PARP1SMN1; SMN2
SCHEMBL22236053 0.74 ALDH1A1 (0.46) MAOAMAOBHRH3PARP1SMN1; SMN2
SCHEMBL30880140 0.74 MAPT (0.54) MAOAMAOBHRH3PARP1SMN1; SMN2
SCHEMBL16514882 0.74 MAOA (0.45) MAOAMAOBHRH3PARP1SMN1; SMN2

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
EP-2120932-B1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2014-07-09 EP disclosed
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 US disclosed
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-08-05 US disclosed
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 WO disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 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-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 MAOA 2984/4885MAOB 2830/4885HRH3 3412/4885

“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.