SCHEMBL4629438

SCHEMBL4629438

Cc1ccc(C(=O)N=C(N)N2CCCc3ccc(C(F)(F)F)cc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.58
MAPT P10636 2/20 0.42
CNR2 P34972 1/20 0.41
NOTUM Q6P988 1/20 0.40
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
KDM1A O60341 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL4628474 0.81 SCN2A (0.86) SCN2ANOTUMALDH1A1NPSR1
SCHEMBL9393577 0.78 CNR2 (0.52) CNR2NOTUMXIAPBIRC2CPT2
SCHEMBL10241674 0.76 NOTUM (0.66) CNR2NOTUMXIAPBIRC2HTR2A
SCHEMBL14566872 0.74 PDE4A (0.43) CNR2NOTUMHDAC1HDAC6ALDH1A1
SCHEMBL27544652 0.74 CNR2 (0.53) CNR2NOTUMXIAPBIRC2CPT2
SCHEMBL4629262 0.74 SCN2A (1.00) SCN2AMAPTNOTUMALDH1A1
SCHEMBL7830913 0.73 CNR2 (0.47) MAPTCNR2NOTUMXIAPBIRC2
SCHEMBL7099398 0.72 KMT2A (0.40) MAPTCNR2NOTUMXIAPBIRC2
SCHEMBL7613843 0.71 KMT2A (0.39) MAPTCNR2NOTUMXIAPBIRC2
SCHEMBL4627586 0.70 SCN2A (0.67) SCN2AMAPTNOTUM

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-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA SCN2A 1613/4885MAPT 705/4885CNR2 571/4885

“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.