SCHEMBL805308

SCHEMBL805308

Cn1c2c(c3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc31)CNCC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
HTR6 P50406 5/20 0.48
PKM P14618 6/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
PNMT P11086 1/20 0.43
PTGS1 P23219 1/20 0.43
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL880288 0.89 PKM (0.54) LMNAHTR6PKMHTTPNMT
SCHEMBL805309 0.88 PKM (0.59) TP53LMNAMAPTHTR6PKM
SCHEMBL10080982 0.85 HTR6 (0.59) HTR6PTGS1
SCHEMBL801291 0.83 HTR6 (0.60) TP53LMNAMAPTTHRBHTR6
SCHEMBL10080981 0.76 HTR6 (0.66) HTR6PNMTPTGS1
SCHEMBL10357478 0.74 PNMT (0.76) TP53LMNAMAPTTHRBHTR6
SCHEMBL10080983 0.74 HTR6 (0.59) HTR6PTGS1
Hydrochloric Acid SCHEMBL9364891 0.73 PNMT (0.74) TP53LMNAMAPTTHRBHTR6
SCHEMBL801088 0.71 HTR6 (0.66) TP53LMNAMAPTHTR6PKM
SCHEMBL801279 0.71 HTR6 (0.72) LMNAHTR6PKMCYP1A2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433939-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME Alla Chem, LLC. (US) 2012-03-28 EP disclosed
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2012-03-22 US disclosed
WO-2010134846-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2010-11-25 WO 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-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME SIGMAR1, ADRA2C, ADRB2 TP53 4760/4885LMNA 3086/4885MAPT 3354/4885

“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.