SCHEMBL3897486

SCHEMBL3897486

O=C(NCC1CCCc2cc(I)ccc21)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.48
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3897483 1.00 HTR6 (0.48) HTR6ALDH1A1MEN1KMT2AKDM4C
SCHEMBL3904998 0.84 HTR6 (0.57) HTR6KDM4C
SCHEMBL3905003 0.84 HTR6 (0.57) HTR6KDM4C
SCHEMBL3911781 0.84 HTR6 (0.46) HTR6ALDH1A1MEN1KMT2AKDM4C
SCHEMBL3911777 0.84 HTR6 (0.46) HTR6ALDH1A1MEN1KMT2AKDM4C
SCHEMBL316011 0.79 HTR6 (0.49) HTR6
SCHEMBL316010 0.79 HTR6 (0.49) HTR6
SCHEMBL14320432 0.77 HTR6 (0.59) HTR6
SCHEMBL3903865 0.77 HTR6 (0.59) HTR6
SCHEMBL6491979 0.74 MTNR1A (0.46) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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 4 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-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

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 HTR6 1/4885ALDH1A1 737/4885MEN1 657/4885

“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.