SCHEMBL20854534

SCHEMBL20854534

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 6/20 0.40
▸ MAPT P10636 5/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ NR3C1 P04150 2/20 0.36
▸ PGR P06401 2/20 0.36
▸ NR3C2 P08235 2/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ FGB P02675 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MCOLN3 Q8TDD5 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
SCHEMBL16239249 0.84 RAPGEF4 (0.44) RAPGEF4NR3C1PGRNR3C2MEN1
SCHEMBL30697862 0.84 RAPGEF4 (0.44) RAPGEF4NR3C1PGRNR3C2MEN1
SCHEMBL1823536 0.82 RAPGEF4 (0.49) RAPGEF4TDP1NPSR1KMT2APOLB
SCHEMBL5236778 0.81 LMNA (0.43) RAPGEF4MAPTTDP1NPSR1HTT
SCHEMBL5384451 0.81 RAPGEF4 (0.41) RAPGEF4MAPTTDP1NPSR1HTT
SCHEMBL5234362 0.79 LMNA (0.41) RAPGEF4MAPTTDP1NPSR1HTT
SCHEMBL1694111 0.79 RAPGEF4 (0.41) RAPGEF4MAPTTDP1NPSR1HTT
SCHEMBL3461956 0.78 RAPGEF4 (0.39) RAPGEF4MAPTTDP1NPSR1HTT
SCHEMBL2968699 0.77 RAPGEF4 (0.38) RAPGEF4MAPTTDP1NPSR1HTT
SCHEMBL5230082 0.77 RAPGEF4 (0.45) RAPGEF4MAPTTDP1NPSR1HTT

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-10730840-B2 Substituted tetrahydroisoquinoline ethylbenzamide anti-cancer agents FLORIDA A&M UNIVERSITY (US) 2020-08-04 — — US disclosed
US-20190100495-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE ETHYLBENZAMIDE ANTI-CANCER AGENTS FLORIDA A&M UNIVERSITY 2019-04-04 — — 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 (2 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-20190100495-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE ETHYLBENZAMIDE ANTI-CANCER AGENTS BRDT, ESR2, TEAD4 RAPGEF4 1292/4885MAPT 4725/4885TDP1 1255/4885
US-10730840-B2 Substituted tetrahydroisoquinoline ethylbenzamide anti-cancer agents BRDT, ESR2, TEAD4 RAPGEF4 1292/4885MAPT 4725/4885TDP1 1255/4885

“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.

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