SCHEMBL498184

SCHEMBL498184

OCc1cnnn1-c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
HSD11B1 P28845 5/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KCNJ5 P48544 11/20 0.37
KCNJ3 P48549 11/20 0.37
NOTUM Q6P988 1/20 0.36

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
SCHEMBL13509856 0.73 HSD11B1 (0.58) HSD11B1
SCHEMBL2772572 0.70 KDM4E (0.41) KMT2AMEN1KCNJ5KCNJ3NOTUM
SCHEMBL498571 0.69 ALDH1A1 (0.39) P2RX7HSD11B1KMT2AMEN1
SCHEMBL2772721 0.67 KCNJ5 (0.39) KMT2AMEN1KCNJ5KCNJ3
SCHEMBL497962 0.67 GABRB3 (0.47) KCNJ5KCNJ3NOTUM
SCHEMBL2771556 0.64 PDE4B (0.39) P2RX7KMT2AMEN1KCNJ5KCNJ3
SCHEMBL4195851 0.64 HSD11B1 (0.61) P2RX7HSD11B1
SCHEMBL498227 0.64 NR1H4 (0.47) KCNJ5KCNJ3NOTUM
SCHEMBL497822 0.64 GABRB3 (0.51) NOTUM
SCHEMBL2131569 0.64 NOTUM (0.42) KCNJ5KCNJ3NOTUM

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 5 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
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 P2RX7 1163/4885HSD11B1 81/4885KMT2A 4324/4885

“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.