SCHEMBL3755657

SCHEMBL3755657

CC(C)(C)OC(=O)N(Nc1ccc(COc2ccccn2)cc1)c1ccc(COc2ccccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NOX1 Q9Y5S8 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
LTA4H P09960 1/20 0.35
PKM P14618 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
POLB P06746 1/20 0.34
CYP17A1 P05093 1/20 0.34
PPARA Q07869 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL3388784 0.79 CYP17A1 (0.54) TSHRNPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL3392392 0.71 RAB9A (0.50) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL9975274 0.70 NPC1 (0.54) TSHRNPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL12219523 0.70 INSR (0.45) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL10055039 0.69 NPC1 (0.68) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL27944052 0.69 TSHR (0.44) TSHRNPC1ALDH1A1CYP2D6CYP2C19
SCHEMBL4320922 0.68 PKM (0.67) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL6079540 0.68 HTR2C (0.35) ALDH1A1
SCHEMBL3388031 0.67 NPC1 (0.54) NPC1ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL28497310 0.67 NPC1 (0.45) TSHRNPC1ALDH1A1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 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-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 TSHR 4215/4885NOX1 953/4885NPC1 3726/4885

“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.