SCHEMBL5428757

SCHEMBL5428757

O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(N2COCc3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.44
▸ HTR2B P41595 4/20 0.44
▸ TP53 P04637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ EBP Q15125 1/20 0.42
▸ DHCR7 Q9UBM7 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ PKM P14618 1/20 0.40

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
SCHEMBL5431697 0.89 ALDH1A1 (0.51) GAAKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5441438 0.89 ALDH1A1 (0.43) GAAKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5434648 0.84 HTR6 (0.46) HTR6
SCHEMBL5436088 0.83 LIPE (0.48) KMT2AMEN1ALDH1A1KDM4EHTR6
SCHEMBL5436729 0.82 HTR6 (0.42) GAAKMT2APOLBALDH1A1KDM4E
SCHEMBL5421797 0.82 MEN1 (0.44) KMT2AMEN1SMN1; SMN2TSHRALDH1A1
SCHEMBL5441823 0.81 MEN1 (0.47) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5432653 0.81 TSHR (0.54) GAAKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5423035 0.81 ABL1 (0.45) GAAKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5784846 0.80 HTR6 (0.50) HTR6

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 GAA 2168/4885KMT2A 3394/4885MEN1 1677/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R GAA 2168/4885KMT2A 3394/4885MEN1 1677/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R GAA 1855/4885KMT2A 3558/4885MEN1 1861/4885

“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.

Send feedback