SCHEMBL3573449

SCHEMBL3573449

O=C(NCCc1ccc(Cl)cc1)c1ccc(C2CCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.64
RAB9A P51151 5/20 0.64
CYP2D6 P10635 2/20 0.64
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
GFER P55789 1/20 0.64
MCHR1 Q99705 5/20 0.59
CHRM1 P11229 1/20 0.59
HTR2A P28223 1/20 0.59
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
NAMPT P43490 1/20 0.54
EPHX1 P07099 1/20 0.52

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
SCHEMBL3577595 0.95 NPC1 (0.68) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL6251152 0.82 MCHR1 (0.68) NPC1RAB9ACYP2D6SMN1; SMN2MCHR1
SCHEMBL1368482 0.79 NPC1 (1.00) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL8668493 0.79 NPC1 (1.00) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL3868610 0.78 MCHR1 (0.64) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL96062 0.77 NPC1 (0.75) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL27842419 0.77 NPC1 (0.75) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL2987921 0.77 NPC1 (0.75) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL1367702 0.77 NPC1 (0.75) NPC1RAB9ACYP2D6GAASMN1; SMN2
SCHEMBL1570073 0.77 NPC1 (0.75) NPC1RAB9ACYP2D6GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC NPC1 3237/4885RAB9A 1226/4885CYP2D6 31/4885

“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.