SCHEMBL6406579

SCHEMBL6406579

C=CCN(C)CC=CCOc1ccc2c(c1)CCCN2S(=O)(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
RORC P51449 1/20 0.38
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5638296 0.92 MAPT (0.47) LSSMAPTTP53POLB
SCHEMBL6403814 0.92 NLRP3 (0.41) LSSMAPTTP53NR3C1CYP11B1
SCHEMBL6400289 0.91 MAPT (0.41) LSSMAPTTP53RORCHRH3
SCHEMBL6398603 0.91 LSS (0.49) LSSMAPTTP53HRH3MEN1
SCHEMBL6429091 0.91 MEN1 (0.43) LSSMAPTTP53RORCHRH3
SCHEMBL6430242 0.91 LSS (0.49) LSSMAPTTP53HRH3MEN1
SCHEMBL6400417 0.91 MEN1 (0.43) LSSMAPTTP53RORCHRH3
SCHEMBL5635668 0.91 HRH3 (0.41) LSSMAPTTP53RORCHRH3
SCHEMBL6404825 0.89 MAPT (0.40) LSSMAPTTP53RORCCYP11B1
SCHEMBL6403927 0.88 MAPT (0.40) LSSMAPTTP53POLBMEN1

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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives AEBI JOHANNES (CH) 2005-01-27 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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 LSS 2/4885MAPT 3562/4885TP53 488/4885

“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.