SCHEMBL589745

SCHEMBL589745

CCN1CCCN(c2ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
MAPT P10636 8/20 0.45
LMNA P02545 5/20 0.45
SIRT6 Q8N6T7 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL589675 0.86 SIRT6 (0.57) ALDH1A1MAPTLMNASIRT6CYP1A2
Hydrochloric Acid SCHEMBL591637 0.84 MAPT (0.46) ALDH1A1MAPTLMNASIRT6KMT2A
SCHEMBL591950 0.84 SIRT6 (0.62) ALDH1A1MAPTLMNASIRT6L3MBTL1
SCHEMBL3512166 0.82 MAPT (0.53) ALDH1A1MAPTLMNASIRT6MEN1
SCHEMBL1894765 0.81 MAPT (0.52) ALDH1A1MAPTLMNASIRT6CYP1A2
SCHEMBL1375198 0.81 MAPT (0.60) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL28663006 0.80 ALDH1A1 (0.47) ALDH1A1MAPTLMNASIRT6L3MBTL1
SCHEMBL1888701 0.80 ALDH1A1 (0.51) ALDH1A1MAPTLMNASIRT6MEN1
Hydrochloric Acid SCHEMBL18918330 0.79 ALDH1A1 (0.46) ALDH1A1MAPTLMNASIRT6MEN1
SCHEMBL591761 0.78 L3MBTL1 (0.51) ALDH1A1MAPTLMNASIRT6MEN1

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 ALDH1A1 1771/4885MAPT 2569/4885LMNA 3348/4885

“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.