SCHEMBL15045374

SCHEMBL15045374

COc1ccc(C(=O)Nc2cccc(C)n2)cc1C

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.69
▸ POLB P06746 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ GRM5 P41594 8/20 0.68
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 3/20 0.58
▸ MAPT P10636 1/20 0.58
▸ AGER Q15109 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ PKM P14618 1/20 0.57

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
SCHEMBL15045370 0.86 NPC1 (0.70) POLBGRM5NPC1RAB9AMAPT
SCHEMBL15043007 0.83 MAPT (0.66) MEN1POLBKMT2AGRM5NPC1
SCHEMBL9963860 0.82 GRM5 (0.75) GRM5NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13296220 0.81 GRM5 (0.82) POLBKMT2AGRM5NPC1RAB9A
SCHEMBL10804342 0.79 NPC1 (0.57) MEN1POLBKMT2AGRM5NPC1
SCHEMBL8170829 0.78 GRM5 (0.73) GRM5NPC1RAB9A
SCHEMBL8557860 0.77 GRM5 (1.00) GRM5NPC1RAB9A
SCHEMBL2624735 0.77 FOXO1 (0.57) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL10810757 0.77 NPC1 (0.55) MEN1POLBKMT2AGRM5NPC1
SCHEMBL23367929 0.77 GRM5 (0.75) POLBKMT2AGRM5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 — — US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 — — 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 (2 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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF MEN1 391/4885POLB 3043/4885KMT2A 3928/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF MEN1 391/4885POLB 3043/4885KMT2A 3928/4885

“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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