SCHEMBL166749

SCHEMBL166749

COC(=O)c1cccc(C(=O)N(C)Cc2ccccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ HCRTR1 O43613 1/20 0.44
▸ HCRTR2 O43614 1/20 0.44
▸ PDK1 Q15118 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK3 Q15120 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL166897 0.88 NPC1 (0.46) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL167183 0.86 KMT2A (0.58) MEN1KMT2ANPC1RAB9APDK1
SCHEMBL13212689 0.83 VNN1 (0.53) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL3508756 0.82 MEN1 (0.49) MEN1KMT2ARAB9AALDH1A1CYSLTR1
SCHEMBL13211426 0.82 KMT2A (0.51) MEN1KMT2ANPC1RAB9APDK1
SCHEMBL8256934 0.82 KMT2A (0.50) MEN1KMT2ANPC1RAB9AHCRTR1
SCHEMBL13229122 0.80 KMT2A (0.80) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL166100 0.77 MEN1 (0.64) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL676887 0.77 SMN1; SMN2 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL15452677 0.77 NPC1 (0.44) MEN1KMT2ANPC1RAB9APDK1

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
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 — — EP disclosed
CN-103079562-A BACE inhibitors for use in the treatment of diabetes HOFFMANN LA ROCHE 2013-05-01 — — CN disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 — — WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 — — WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 — — US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 — — US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 — — 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 MEN1 3688/4885KMT2A 1407/4885NPC1 120/4885

“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.

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