SCHEMBL589476

SCHEMBL589476

N#Cc1cc(S(=O)(=O)c2cccc(F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.48
HTR6 P50406 4/20 0.46
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2A P28223 1/20 0.40
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
MAPT P10636 2/20 0.38
GRM6 O15303 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL590951 0.89 VCAM1 (0.50) VCAM1HTR6KMT2AGAAHTT
SCHEMBL590624 0.86 KMT2A (0.51) VCAM1HTR6KMT2AGAAHTT
SCHEMBL9713702 0.80 VCAM1 (0.46) VCAM1KMT2AGAAHTTTDP1
SCHEMBL589140 0.79 TDP1 (0.58) VCAM1KMT2AHTTATMTDP1
SCHEMBL591089 0.76 MAOA (0.44) VCAM1KMT2AATMTDP1GRIA1
SCHEMBL1335475 0.76 MAPT (0.49) VCAM1HTTATMTDP1MAPT
SCHEMBL6745785 0.74 KIF18A (0.55) VCAM1KMT2AGAAHTTHTR2C
SCHEMBL13147933 0.74 HTR6 (0.47) HTR6HTR2CHTR2BHTR2AKCNH2
SCHEMBL775608 0.73 HTR2C (0.59) HTR6KMT2AGAAHTTHTR2C
SCHEMBL1335644 0.71 MAOB (0.52)

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 7 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
CN-101594862-A Substituted indazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2009-12-02 CN 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 VCAM1 3352/4885HTR6 3756/4885KMT2A 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.