SCHEMBL6645513

SCHEMBL6645513

Cc1ccc(C(=O)Nc2ccc(OCCc3csc(N)n3)nc2)c(N2CCC(C)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 3/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
BRPF1 P55201 1/20 0.35
RAB9A P51151 1/20 0.34
PTPN11 Q06124 1/20 0.34
DNM1L O00429 1/20 0.34
DGAT1 O75907 1/20 0.34
KIF18A Q8NI77 3/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6649392 0.90 MAPT (0.39) SMN1; SMN2MAPTTP53ADRB2ADRB1
SCHEMBL6645917 0.90 SMN1; SMN2 (0.50) SMN1; SMN2MAPTTP53ADRB2ADRB1
SCHEMBL6646598 0.84 ADRB2 (0.40) SMN1; SMN2MAPTTP53ADRB2ADRB1
SCHEMBL6644258 0.82 SMN1; SMN2 (0.44) SMN1; SMN2TP53PIK3CAMTORHTR2C
SCHEMBL6645200 0.78 HCRTR2 (0.40) SMN1; SMN2MAPTTP53ADRB2ADRB1
SCHEMBL6649920 0.77 SMN1; SMN2 (0.47) SMN1; SMN2MAPTTP53ALDH1A1KDM4E
SCHEMBL6646017 0.77 SIRT1 (0.39) SMN1; SMN2MAPTTP53ADRB2ADRB1
SCHEMBL6646979 0.77 MAPT (0.40) SMN1; SMN2MAPTTP53ADRB2ADRB1
SCHEMBL6643270 0.74 ALDH1A1 (0.45) SMN1; SMN2MAPTTP53ADRB2ADRB1
SCHEMBL6502051 0.73 SMN1; SMN2 (0.45) SMN1; SMN2MAPTTP53PIK3CAMTOR

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR SMN1; SMN2 1836/4885MAPT 4101/4885TP53 4513/4885

“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.