SCHEMBL3900957

SCHEMBL3900957

O=C1CN=C(NCc2cccc3cc(NS(=O)(=O)c4ccccc4)ccc23)N1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX12 P18054 6/20 0.43
PKM P14618 1/20 0.41
BRD4 O60885 3/20 0.40
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
AKR1C3 P42330 1/20 0.38
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
BRPF3 Q9ULD4 1/20 0.38
TYMS P04818 1/20 0.38
P2RX4 Q99571 1/20 0.37

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
SCHEMBL3903858 0.92 PKM (0.41) LMNASMN1; SMN2ALOX12PKMBRD4
SCHEMBL3904385 0.74 LMNA (0.55) LMNASMN1; SMN2ALOX12PKMBRD4
SCHEMBL3900248 0.73 LMNA (0.56) LMNASMN1; SMN2ALOX12PKMBRD4
SCHEMBL3093552 0.69 SMN1; SMN2 (0.51) LMNASMN1; SMN2HTR6MAPT
SCHEMBL3906058 0.69 CA1 (0.51) LMNASMN1; SMN2ALOX12HTR6ALDH1A1
SCHEMBL3958854 0.69 LMNA (0.48) LMNASMN1; SMN2ALOX12PKMBRD4
SCHEMBL4563735 0.69 NAMPT (0.37) ALDH1A1
SCHEMBL3976941 0.69 LMNA (0.47) LMNASMN1; SMN2ALOX12HTR6ALDH1A1
SCHEMBL16239013 0.68 P2RX4 (0.54) LMNASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL30297281 0.68 P2RX4 (0.54) LMNASMN1; SMN2ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076489-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
WO-2007147762-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
WO-2007147762-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 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-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof HTR6, TPH1, HTR1B LMNA 2866/4885SMN1; SMN2 825/4885ALOX12 2511/4885

“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.