SCHEMBL2889100

SCHEMBL2889100

Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2=O)nnn1-c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYBB P04839 1/20 0.42
NOX5 Q96PH1 1/20 0.42
NOX4 Q9NPH5 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
P2RX7 Q99572 5/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
RBP4 P02753 1/20 0.40
TP53 P04637 1/20 0.39
KDM1A O60341 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
SCHEMBL2889747 0.89 SCN9A (0.49) MEN1KMT2AMAPTTHRBTP53
SCHEMBL12975581 0.88 POLB (0.49) P2RX7MAPTLMNATP53
SCHEMBL2889480 0.86 P2RX7 (0.42) P2RX7RBP4
SCHEMBL2893886 0.86 GPR119 (0.42) MAPTLMNATHRBTP53
SCHEMBL2891520 0.86 P2RX7 (0.46) P2RX7RBP4
SCHEMBL2894048 0.85 RBP4 (0.44) P2RX7RBP4
SCHEMBL1663013 0.83 P2RX7 (0.56) MEN1KMT2ACYBBNOX5NOX4
SCHEMBL3653185 0.76 P2RX7 (0.55) P2RX7MAPT
SCHEMBL30734152 0.74 MEN1 (0.51) MEN1KMT2AP2RX7MAPTTHRB
SCHEMBL1583488 0.74 MEN1 (0.51) MEN1KMT2AP2RX7MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP 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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B MEN1 4056/4885KMT2A 2381/4885CYBB 1079/4885

“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.