SCHEMBL589419

SCHEMBL589419

CC(C)(C)OC(=O)c1ccc(OCCN2CCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 1/20 0.60
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
LTA4H P09960 4/20 0.50
PTGS2 P35354 3/20 0.50
PTGS1 P23219 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.49
MAOB P27338 6/20 0.47
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 1/20 0.46
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46

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
Hydrochloric Acid SCHEMBL589367 0.83 KDM4E (0.67) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL28773196 0.82 KDM4E (0.58) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL591158 0.80 CHRNB2 (0.49) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL3511556 0.80 CHRNB4 (0.57)
SCHEMBL954152 0.79 KDM4E (0.70) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL3985031 0.79 KDM4E (0.38) KDM4E
SCHEMBL31615930 0.79 ALDH1A1 (0.56) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL590575 0.78 SIGMAR1 (0.44) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL28773193 0.76 KDM4E (0.63) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL214604 0.76 KDM4E (0.50) KDM4EMEN1KMT2AHTTALDH1A1

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 3 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

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 KDM4E 832/4885MEN1 3368/4885KMT2A 1074/4885

“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.