SCHEMBL6758259

SCHEMBL6758259

CCC(Nc1ccc2sc(C(=O)N3CCN(CC)CC3)cc2c1)C(C)c1nc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HRH4 Q9H3N8 3/20 0.40
SYK P43405 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD3 P35462 4/20 0.37
DRD2 P14416 3/20 0.37

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
SCHEMBL6759297 0.93 HRH4 (0.47) KDM4ELMNANPC1RAB9AHRH3
SCHEMBL6758074 0.90 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL6759304 0.81 HRH4 (0.52) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL6758255 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL6759314 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL6755015 0.77 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL6755081 0.77 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL6755068 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL6619162 0.75 RXFP1 (0.44) ALDH1A1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL6755079 0.75 LMNA (0.41) ALDH1A1KDM4ESMN1; SMN2LMNANPC1

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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins PIERRE FABRE MEDICAMENT (FR) 2004-10-14 US claimed

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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins CBR1, CBR3, HCCS ALDH1A1 2558/4885KDM4E 2166/4885SMN1; SMN2 4871/4885

“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.