SCHEMBL4277929

SCHEMBL4277929

CN1CCC(c2ccc(C(=O)Nc3nn(S(=O)(=O)c4ccccc4)c4c3CNC4)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
KDM1A O60341 2/20 0.42
MAOA P21397 2/20 0.42
KDM1B Q8NB78 2/20 0.42
RCOR1 Q9UKL0 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR6 P50406 3/20 0.41
USP5 P45974 5/20 0.41
DRD3 P35462 2/20 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
SCHEMBL4279354 0.86 NPC1 (0.48) ALDH1A1SMN1; SMN2NPC1
SCHEMBL4278068 0.81 TNIK (0.38) ALDH1A1SMN1; SMN2NPC1
SCHEMBL4289180 0.80 ITGB3 (0.46) HDAC3HDAC1HDAC2ALDH1A1HTR6
SCHEMBL4285654 0.80 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2NPC1
SCHEMBL4285338 0.80 GAA (0.44) SMN1; SMN2HTR6DRD3HRH3FGFR1
SCHEMBL4290176 0.78 L3MBTL1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL4293066 0.77 MAPT (0.53) ALDH1A1SMN1; SMN2NPC1
SCHEMBL4279251 0.76 HDAC4 (0.52) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4277921 0.75 IGF1R (0.55) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL4280845 0.73 IGF1R (0.41) HTR6DRD3HTR1A

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 HDAC3 876/4885HDAC1 456/4885HDAC2 509/4885

“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.