SCHEMBL6401109

SCHEMBL6401109

C=CCN(C)CCCCCc1ccc2c(c1)CCN2S(=O)(=O)Nc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.39
GAA P10253 1/20 0.38
ALOX5 P09917 2/20 0.36
EPHX2 P34913 2/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
ADRB2 P07550 4/20 0.35
ADRB1 P08588 4/20 0.35
ADRB3 P13945 4/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNT1 Q5JUK3 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MOGAT2 Q3SYC2 2/20 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
SCHEMBL6399380 0.91 NPC1 (0.39) LSSGAAADRB2ADRB1ADRB3
SCHEMBL5637220 0.91 ADRB2 (0.43) GAAADRB2ADRB1ADRB3TP53
SCHEMBL6400517 0.90 MGAT2 (0.40) LSSMAPTMOGAT2
SCHEMBL5636747 0.82 GAA (0.39) LSSGAAPOLBTP53MAPT
SCHEMBL6399626 0.82 LSS (0.50) LSSLMNATP53MAPT
SCHEMBL5637397 0.81 LSS (0.48) LSSLMNATP53MAPT
SCHEMBL6404170 0.81 LSS (0.43) LSSLMNAPOLBTP53MAPT
SCHEMBL5971023 0.79 LSS (0.42) LSSGAAALOX5EPHX2LMNA
SCHEMBL6404928 0.78 LSS (0.42) LSSMAPT
SCHEMBL5637542 0.78 LSS (0.44) LSSTP53MAPT

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 2/4885GAA 983/4885ALOX5 94/4885

“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.