SCHEMBL6397148

SCHEMBL6397148

c1cc(C2CCCC[N]2)cs1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.32
AKT1 P31749 1/20 0.31
KDR P35968 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
CPB1 P15086 1/20 0.30

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
SCHEMBL6392871 0.94 AKT1 (0.31) ADORA2BAKT1HCAR2CPB1
SCHEMBL186274 0.72 NOS1 (0.52)
SCHEMBL4590823 0.71 HCAR2 (0.31) HCAR2
SCHEMBL18825946 0.71 KDR (0.41) ADORA2BAKT1KDRHCAR2
SCHEMBL3559920 0.71 CYP2C19 (0.38)
SCHEMBL8542775 0.71 NOS1 (0.50)
SCHEMBL3173918 0.71 NOS1 (0.50)
SCHEMBL31087550 0.70 KDR (0.43) ADORA2BKDRHCAR2
SCHEMBL146605 0.70 KDR (0.43) ADORA2BKDRHCAR2
SCHEMBL3153900 0.69 ALDH1A1 (0.37)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-02-03 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-20050026929-A1 Novel phenyl derivatives as inducers of apoptosis BAX, BAD, CASP3 ADORA2B 4165/4885AKT1 2041/4885KDR 3204/4885

“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.