SCHEMBL6404825

SCHEMBL6404825

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
RORC P51449 3/20 0.38
TP53 P04637 4/20 0.37
LSS P48449 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.36
SRD5A1 P18405 1/20 0.35
CYP11B1 P15538 1/20 0.35
CHEK1 O14757 2/20 0.35
FLT3 P36888 2/20 0.35
KIT P10721 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
SCHEMBL6400289 0.91 MAPT (0.41) MAPTRORCTP53LSSLMNA
SCHEMBL6403814 0.90 NLRP3 (0.41) MAPTTP53LSSCYP11B1
SCHEMBL5638296 0.90 MAPT (0.47) MAPTTP53LSSLMNA
SCHEMBL6430242 0.89 LSS (0.49) MAPTTP53LSS
SCHEMBL6400417 0.89 MEN1 (0.43) MAPTRORCTP53LSSLMNA
SCHEMBL6429091 0.89 MEN1 (0.43) MAPTRORCTP53LSSLMNA
SCHEMBL6398603 0.89 LSS (0.49) MAPTTP53LSS
SCHEMBL5635668 0.89 HRH3 (0.41) MAPTRORCTP53LSS
SCHEMBL6406579 0.89 LSS (0.40) MAPTRORCTP53LSSCYP11B1
SCHEMBL6403927 0.88 MAPT (0.40) MAPTTP53LSSLMNA

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 MAPT 3562/4885RORC 1001/4885TP53 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.