SCHEMBL14027518

SCHEMBL14027518

O=C(NC(=O)c1ccccc1)Nc1ccc(-c2cnco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 1.00
▸ RAB9A P51151 5/20 1.00
▸ KDM4E B2RXH2 3/20 0.81
▸ PKM P14618 2/20 0.81
▸ ALDH1A1 P00352 2/20 0.81
▸ LMNA P02545 1/20 0.81
▸ HTT P42858 1/20 0.78
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ IMPDH2 P12268 4/20 0.58
▸ PORCN Q9H237 1/20 0.55
▸ JAK3 P52333 1/20 0.55
▸ IMPDH1 P20839 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ AAK1 Q2M2I8 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL14027520 0.88 HTT (1.00) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL14027190 0.86 KMT2A (0.76) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL14050049 0.85 HTT (0.75) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL12749611 0.79 NPC1 (0.65) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL22983284 0.78 NPC1 (0.78) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL14027236 0.77 MEN1 (1.00) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL4684343 0.75 RAB9A (1.00) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL28985219 0.75 KMT2A (0.67) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL31324053 0.74 NPC1 (0.68) NPC1RAB9AKDM4EPKMALDH1A1
SCHEMBL14543463 0.74 NPC1 (0.64) NPC1RAB9AKDM4EPKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 — — US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 — — US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 — — 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-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 NPC1 4627/4885RAB9A 2023/4885KDM4E 4569/4885

“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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