SCHEMBL3779538

SCHEMBL3779538

O=C(Nc1cccc2ccccc12)c1cccc(NC(=O)c2ccccc2Br)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.74
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RXFP1 Q9HBX9 4/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
F2R P25116 3/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL21829030 0.87 NPC1 (0.68) PTGESNPC1RAB9ACYP1A2CYP3A4
SCHEMBL3777404 0.85 PTGES (1.00) PTGESNPC1RAB9ACYP1A2CYP3A4
SCHEMBL3779966 0.81 MAPT (0.54) PTGESKMT2AMEN1F2RMAPT
SCHEMBL13010684 0.81 PTGES (0.82) PTGESNPC1RAB9ACYP1A2CYP3A4
SCHEMBL10069451 0.80 KMT2A (0.79) NPC1RAB9AKMT2AMEN1F2R
SCHEMBL3777602 0.80 F2R (0.55) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL3770521 0.80 F2R (0.55) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL23070709 0.79 KMT2A (0.68) NPC1RAB9AKMT2AMEN1F2R
SCHEMBL3771639 0.78 NPC1 (0.75) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL3663484 0.78 KMT2A (0.61) NPC1RAB9ARXFP1KMT2AMEN1

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US disclosed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 PTGES 54/4885NPC1 145/4885RAB9A 2083/4885

“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.