SCHEMBL4293066

SCHEMBL4293066

CN1CCN(c2ccc(C(=O)Nc3nn(S(=O)(=O)c4ccccc4)c4c3CNC4)cc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
GAA P10253 5/20 0.53
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 2/20 0.49
NPC1 O15118 2/20 0.49
NOD1 Q9Y239 1/20 0.49
LMNA P02545 6/20 0.46
PKM P14618 2/20 0.46
WDR5 P61964 3/20 0.45
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR35 Q9HC97 1/20 0.43

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
SCHEMBL4279748 0.88 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL4288084 0.85 NTRK1 (0.43) MAPTSMN1; SMN2GAA
SCHEMBL4279354 0.84 NPC1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4279306 0.80 MAPT (0.50) MAPTALDH1A1SMN1; SMN2GAAMAPK1
Hydrochloric Acid SCHEMBL4279298 0.79 MAPT (0.50) MAPTALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL4293061 0.79 MAPT (0.55) MAPTALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL4277929 0.77 HDAC3 (0.49) ALDH1A1SMN1; SMN2NPC1
SCHEMBL4280877 0.77 NPC1 (0.39) MAPTALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL4284769 0.75 FLT3 (0.39) MAPTALDH1A1SMN1; SMN2NPC1WDR5
SCHEMBL4280845 0.75 IGF1R (0.41)

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
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US claimed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 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-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 MAPT 2911/4885ALDH1A1 1863/4885SMN1; SMN2 4419/4885

“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.