SCHEMBL5629574

SCHEMBL5629574

CN1CCCC1CCNS(=O)(=O)c1ccc2c(c1)CN(Cc1ccc3c(c1)OCO3)CC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.44
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.40
CHRM3 P20309 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL5632368 0.86 ATM (0.43) SMN1; SMN2TP53TSHR
SCHEMBL5629084 0.86 SMN1; SMN2 (0.47) ALDH1A1LMNASMN1; SMN2TP53KMT2A
SCHEMBL5630748 0.85 HTR7 (0.42) ALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL5628430 0.84 HTR7 (0.42) POLB
SCHEMBL3752809 0.83 MAPT (0.47) ALDH1A1POLBMAPTKMT2ACHRM3
SCHEMBL5630601 0.81 HTR7 (0.45) ALDH1A1POLBTP53TSHR
SCHEMBL14947355 0.81 TSHR (0.45) ALDH1A1HTTPOLBTP53TSHR
SCHEMBL1241268 0.80 HRH3 (0.46) ALDH1A1TP53TSHR
SCHEMBL2400927 0.80 HRH3 (0.46) ALDH1A1TP53TSHR
Water SCHEMBL16161850 0.79 HRH3 (0.46) ALDH1A1TP53TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-05-10 US claimed
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-05-10 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-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, SLC6A2, KCNQ2 MCHR1 401/4885ALDH1A1 697/4885NPSR1 89/4885

“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.