SCHEMBL4171349

SCHEMBL4171349

BrCc1cccc(-c2ccsc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.63
CYP2A6 P11509 4/20 0.50
CYP2B6 P20813 2/20 0.50
CYP2E1 P05181 1/20 0.50
DRD2 P14416 3/20 0.48
DRD3 P35462 2/20 0.48
DRD4 P21917 1/20 0.48
KCNH2 Q12809 1/20 0.43
HTR1A P08908 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTPRC P08575 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CNR1 P21554 1/20 0.39
CCR5 P51681 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL9173342 0.85 PRMT6 (0.49) PRMT6DRD2DRD3DRD4HTR1A
SCHEMBL30987236 0.82 TRPA1 (0.52) PRMT6CYP4F2CYP4A11
SCHEMBL1259618 0.82 TRPA1 (0.52) PRMT6CYP4F2CYP4A11
SCHEMBL112601 0.81 PRMT6 (0.63) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL10162041 0.81 PRMT6 (0.68) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL7499054 0.81 PRMT6 (0.63) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL30340237 0.81 PRMT6 (0.68) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL9454377 0.81 PRMT6 (0.63) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL9846347 0.81 PRMT6 (0.63) PRMT6CYP2A6CYP2B6CYP2E1DRD2
SCHEMBL4350314 0.80 CYP2A6 (0.68) PRMT6CYP2A6CYP2B6CYP2E1DRD2

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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 WO disclosed
US-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed
EP-0395768-A1 SUBSTITUTED ALLYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-11-07 EP disclosed
US-4426524-A Heterocyclic substituted benzyl alcohol, insecticidal ester derivatives, and intermediates FMC CORPORATION (US) 1984-01-17 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 (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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R PRMT6 2078/4885CYP2A6 181/4885CYP2B6 193/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R PRMT6 2078/4885CYP2A6 181/4885CYP2B6 193/4885

“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.