SCHEMBL4862697

SCHEMBL4862697

O=S(=O)(c1ccc(Br)cc1)n1ccc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
PKM P14618 1/20 1.00
HTR6 P50406 10/20 0.75
LMNA P02545 2/20 0.75
ALDH1A1 P00352 1/20 0.75
HPGD P15428 1/20 0.75
TSHR P16473 1/20 0.75
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RAPGEF4 Q8WZA2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
AKR1C3 P42330 1/20 0.51
AKR1C1 Q04828 1/20 0.51
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL29558135 0.86 HTR6 (1.00) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL429849 0.86 HTR6 (1.00) HTTMEN1KMT2AL3MBTL1PKM
Hydrochloric Acid SCHEMBL28794299 0.84 HTR6 (0.96) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL31663420 0.83 HTR6 (0.81) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL29414854 0.83 HTR6 (0.75) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL1673252 0.83 HTR6 (0.75) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL3967709 0.83 HTR6 (0.75) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL9587047 0.83 HTR6 (0.75) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL9270506 0.83 HTT (0.70) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL1203289 0.82 HTR6 (0.73) HTTMEN1KMT2AL3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101544592-B Process for preparation of N-arylsulfonyl-3-substituted indoles SUVEN LIFE SCIENCES LTD 2013-08-21 CN disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 WO disclosed
EP-0667350-B1 Water-soluble phosphine-derivatives HOFFMANN LA ROCHE (CH) 1999-09-01 EP disclosed
US-5536858-A CATALYSTS FOR HYDROGENATION USING PHOSPHINEARYLSULFONATES HOFFMANN-LA ROCHE INC. (US) 1996-07-16 US disclosed
EP-0667350-A1 Water-soluble phosphine-derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-08-16 EP 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 (2 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB HTT 3480/4885MEN1 4117/4885KMT2A 4050/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB HTT 3569/4885MEN1 4261/4885KMT2A 4112/4885

“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.