SCHEMBL498288

SCHEMBL498288

Cc1nc(OCc2c(C(C)C)nnn2-c2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
SCN9A Q15858 2/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
KCNH2 Q12809 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
POLB P06746 1/20 0.32
TXNRD1 Q16881 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KCNN4 O15554 1/20 0.30
MAOA P21397 2/20 0.30
PRKCQ Q04759 1/20 0.30

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
SCHEMBL498218 0.85 KCNN4 (0.32) SCN9AGABRG2GABRB3GABRA5KCNH2
SCHEMBL2770816 0.85 POLB (0.33) HCAR1POLBTXNRD1ALDH1A1MAOA
SCHEMBL2130270 0.79 NR1H4 (0.45) GABRG2GABRB3GABRA5KCNH2TXNRD1
SCHEMBL497775 0.75 NR1H4 (0.41) SCN9A
SCHEMBL27761420 0.74 NR1H4 (0.36) SCN9A
SCHEMBL498230 0.74 MBOAT4 (0.32)
SCHEMBL497639 0.73 KCNN4 (0.40) SLC5A1SLC5A2SCN9AHCAR1ALDH1A1
SCHEMBL2128494 0.72 NR1H4 (0.43) MAOA
SCHEMBL27761419 0.71 NR1H4 (0.38) SCN9AKCNN4
SCHEMBL2770997 0.69 NR1H4 (0.33) SCN9AHCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
CN-101448798-A Compounds and methods for modulating FXR LILLY CO ELI (US) 2009-06-03 CN disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 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-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 SLC5A1 264/4885SLC5A2 321/4885SCN9A 3726/4885

“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.