SCHEMBL15045370

SCHEMBL15045370

CCOc1ccc(C(=O)Nc2cccc(C)n2)cc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.70
▸ RAB9A P51151 5/20 0.70
▸ TP53 P04637 4/20 0.70
▸ LMNA P02545 3/20 0.70
▸ MAPT P10636 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ PKM P14618 1/20 0.70
▸ CHRNB2 P17787 3/20 0.60
▸ CHRNB4 P30926 3/20 0.60
▸ CHRNA3 P32297 3/20 0.60
▸ CHRNA4 P43681 3/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ GRM5 P41594 5/20 0.60
▸ ALOX15 P16050 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ SENP7 Q9BQF6 1/20 0.57
▸ SENP6 Q9GZR1 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL15045374 0.86 MEN1 (0.69) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL10090722 0.84 MAPT (0.68) NPC1RAB9ATP53LMNAMAPT
SCHEMBL9963860 0.79 GRM5 (0.75) NPC1RAB9ATP53LMNAMAPT
SCHEMBL13296220 0.78 GRM5 (0.82) NPC1RAB9ATP53LMNAMAPT
SCHEMBL10090677 0.77 NPC1 (0.60) NPC1RAB9ATP53LMNAMAPT
SCHEMBL8170829 0.75 GRM5 (0.73) NPC1RAB9AGRM5
SCHEMBL8557860 0.74 GRM5 (1.00) NPC1RAB9AGRM5
SCHEMBL9944135 0.74 MEN1 (0.62) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL10810757 0.74 NPC1 (0.55) NPC1RAB9ATP53LMNAMAPT
SCHEMBL23367929 0.74 GRM5 (0.75) NPC1RAB9ATP53LMNAMAPT

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 NPC1 1073/4885RAB9A 2160/4885TP53 21/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF NPC1 1073/4885RAB9A 2160/4885TP53 21/4885

“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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