SCHEMBL1335673

SCHEMBL1335673

N#Cc1cc(OCc2cc(F)ccc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
VCAM1 P19320 1/20 0.38
SNCA P37840 1/20 0.38
PTGES O14684 1/20 0.37
MAOB P27338 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALKBH1 Q13686 1/20 0.36
PLA2G7 Q13093 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1334132 0.81 MAOB (0.45) MAPTALDH1A1L3MBTL1TRPV4VCAM1
SCHEMBL1335644 0.81 MAOB (0.52) MAOB
SCHEMBL1336596 0.80 VCAM1 (0.43) MAPTALDH1A1TRPV4VCAM1MAOB
SCHEMBL810976 0.79 CACNA1C (0.43) ATMTDP1MAPTCACNA1CALDH1A1
SCHEMBL1336332 0.79 CACNA1C (0.53) CACNA1CALDH1A1MAOBALKBH1PLA2G7
SCHEMBL589140 0.77 TDP1 (0.58) ATMTDP1MAPTALDH1A1L3MBTL1
SCHEMBL1336543 0.76 MAOB (0.65) ATMMAPTPTGESMAOBMEN1
SCHEMBL1335475 0.74 MAPT (0.49) ATMTDP1MAPTALDH1A1VCAM1
SCHEMBL1334140 0.73 VCAM1 (0.41) ATMTDP1MAPTALDH1A1VCAM1
SCHEMBL5860358 0.73 MAOB (0.48) ATMTDP1MAPTALDH1A1GAA

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-2373626-B1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-24 EP disclosed
US-8354399-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-15 US disclosed
US-20110281843-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-11-17 US disclosed
EP-2373626-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2011-10-12 EP disclosed
WO-2010069966-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-24 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-20110281843-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, MAP3K3, MAP3K5 ATM 226/4885TDP1 1928/4885MAPT 2440/4885

“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.