SCHEMBL10201679

SCHEMBL10201679

COCNc1cccc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 1/20 0.56
POLB P06746 1/20 0.56
MTNR1B P49286 5/20 0.55
MTNR1A P48039 4/20 0.55
RAPGEF4 Q8WZA2 1/20 0.53
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NOS1 P29475 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
PSMD14 O00487 1/20 0.47

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
SCHEMBL11325034 0.86 MAPT (0.45) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL42399 0.82 MTNR1B (0.57) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL11114174 0.82 MTNR1A (0.66) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL38660132 0.82 MTNR1B (0.57) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL12748219 0.81 MTNR1A (0.60) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL1085867 0.81 MEN1 (0.71) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL7470335 0.81 MTNR1A (0.56) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL28471149 0.81 MTNR1B (0.55) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL12246651 0.81 MTNR1A (0.59) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL13302353 0.79 MEN1 (0.69) MEN1KMT2AMAPTMAPK1POLB

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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 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 (3 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B MEN1 2742/4885KMT2A 4308/4885MAPT 1662/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B MEN1 2742/4885KMT2A 4308/4885MAPT 1662/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 MEN1 2273/4885KMT2A 4353/4885MAPT 1774/4885

“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.