SCHEMBL6403814

SCHEMBL6403814

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LSS P48449 5/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NR3C1 P04150 1/20 0.36
TRIM24 O15164 1/20 0.35
TSHR P16473 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35

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 0.93 MAPT (0.47) MAPTLSSTP53POLB
SCHEMBL6400289 0.92 MAPT (0.41) MAPTMEN1KMT2ALSSTP53
SCHEMBL6398603 0.92 LSS (0.49) NLRP3MAPTMEN1KMT2ALSS
SCHEMBL6400417 0.92 MEN1 (0.43) NLRP3MAPTMEN1KMT2ALSS
SCHEMBL6429091 0.92 MEN1 (0.43) NLRP3MAPTMEN1KMT2ALSS
SCHEMBL6430242 0.92 LSS (0.49) NLRP3MAPTMEN1KMT2ALSS
SCHEMBL5635668 0.92 HRH3 (0.41) MAPTMEN1KMT2ALSSTP53
SCHEMBL6406579 0.92 LSS (0.40) MAPTMEN1KMT2ALSSTP53
SCHEMBL6404825 0.90 MAPT (0.40) MAPTLSSTP53CYP11B1
SCHEMBL6403927 0.89 MAPT (0.40) NLRP3MAPTMEN1KMT2ALSS

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 NLRP3 896/4885MAPT 3562/4885MEN1 402/4885

“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.