SCHEMBL4852200

SCHEMBL4852200

CC(=O)c1cc2c(Br)cccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR1F P30939 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SRC P12931 1/20 0.43
AGTR1 P30556 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MTNR1B P49286 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 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
SCHEMBL16812952 0.89 HTR6 (0.48) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL16796488 0.87 SRC (0.47) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL16796477 0.86 MEN1 (0.51) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL10004275 0.83 NOD2 (0.60) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL4862879 0.83 MEN1 (0.43) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL4862870 0.83 MEN1 (0.43) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL14203293 0.83 MEN1 (0.43) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL597369 0.82 HTR6 (0.46) HTR6LMNASMN1; SMN2SRCAGTR1
SCHEMBL30644289 0.82 HTR6 (0.46) HTR6LMNASMN1; SMN2SRCAGTR1
SCHEMBL19771696 0.81 HTR6 (0.47) HTR6HTR1ADRD2HTR1DHTR1B

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
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US 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
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 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

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 HTR6 1111/4885HTR1A 899/4885DRD2 1646/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB HTR6 1102/4885HTR1A 887/4885DRD2 1830/4885

“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.