SCHEMBL5436729

SCHEMBL5436729

O=S(=O)(c1ccsc1)N1CCC(N2COCc3ccccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.42
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAPK1 P28482 1/20 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
SCHEMBL5697915 0.87 HTR6 (0.37) HTR6KDM4EALDH1A1USP2GBA1
SCHEMBL5441438 0.82 ALDH1A1 (0.43) HTR6GAAKDM4EALDH1A1TP53
SCHEMBL5428757 0.82 GAA (0.52) HTR6GAAKDM4EALDH1A1TP53
SCHEMBL5431697 0.82 ALDH1A1 (0.51) GAAKDM4EALDH1A1TP53L3MBTL1
SCHEMBL5432903 0.81 TSHR (0.50) ALDH1A1RAB9AKMT2AHPGDPOLB
SCHEMBL5441823 0.80 MEN1 (0.47) HTR6GAAKDM4EALDH1A1TP53
SCHEMBL3153461 0.80 HTR6 (0.66) HTR6
SCHEMBL5421797 0.78 MEN1 (0.44) HTR6KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL5428107 0.78 HTR6 (0.47) HTR6GAAKDM4EALDH1A1TP53
SCHEMBL5432653 0.77 TSHR (0.54) GAAALDH1A1L3MBTL1KMT2AHPGD

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
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 — — US disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 — — US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 — — 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 (3 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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R HTR6 1/4885GAA 2168/4885KDM4E 3598/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR6 1/4885GAA 2168/4885KDM4E 3598/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R HTR6 2/4885GAA 1855/4885KDM4E 3574/4885

“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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