SCHEMBL498571

SCHEMBL498571

O=Cc1cnnn1-c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
P2RX7 Q99572 2/20 0.39
FLT3 P36888 1/20 0.34
HSD11B1 P28845 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK14 Q16539 6/20 0.32
NOS1 P29475 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
SCHEMBL498184 0.69 P2RX7 (0.46) MEN1KMT2AP2RX7HSD11B1
SCHEMBL11535075 0.67 MAPK14 (0.39) ALDH1A1MEN1KMT2ATDP1MAPK14
SCHEMBL950144 0.66 ATM (0.53) ALDH1A1MEN1KMT2ATDP1
SCHEMBL28061546 0.65
SCHEMBL7510962 0.65
SCHEMBL20094462 0.64 NR1H4 (0.40) ALDH1A1MEN1KMT2ATDP1MAPK14
SCHEMBL28858824 0.63 NOTUM (0.49) ALDH1A1MEN1KMT2ATDP1
SCHEMBL950455 0.61 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATDP1
SCHEMBL11732101 0.61 RAB9A (0.64) ALDH1A1MEN1KMT2ANPSR1MAPK14
SCHEMBL8600146 0.61 HCAR1 (0.37) MAPK14NOS1

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 3 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

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 ALDH1A1 2294/4885MEN1 4301/4885KMT2A 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.