SCHEMBL14027520

SCHEMBL14027520

O=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(-c2cnco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 1.00
▸ NPC1 O15118 4/20 0.81
▸ KDM4E B2RXH2 3/20 0.81
▸ PKM P14618 2/20 0.81
▸ KMT2A Q03164 2/20 0.79
▸ MEN1 O00255 1/20 0.79
▸ RAB9A P51151 3/20 0.78
▸ ALDH1A1 P00352 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ NOTUM Q6P988 1/20 0.56
▸ IMPDH2 P12268 2/20 0.53
▸ JAK3 P52333 1/20 0.53
▸ IMPDH1 P20839 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ LTA4H P09960 1/20 0.49
▸ AAK1 Q2M2I8 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46

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
SCHEMBL14027236 0.88 MEN1 (1.00) HTTNPC1KDM4EPKMKMT2A
SCHEMBL14027518 0.88 NPC1 (1.00) HTTNPC1KDM4EPKMKMT2A
SCHEMBL14050049 0.86 HTT (0.75) HTTNPC1KDM4EPKMKMT2A
SCHEMBL14027190 0.76 KMT2A (0.76) HTTNPC1KDM4EPKMKMT2A
SCHEMBL472353 0.75 NOTUM (1.00) HTTNPC1KDM4EPKMKMT2A
SCHEMBL11437835 0.74 HTT (0.58) HTTNPC1KMT2AMEN1RAB9A
SCHEMBL14083900 0.74 NPC1 (0.69) HTTNPC1KDM4EPKMKMT2A
SCHEMBL28985219 0.73 KMT2A (0.67) HTTNPC1KDM4EPKMKMT2A
SCHEMBL10869948 0.72 NPC1 (0.77) HTTNPC1KMT2AMEN1RAB9A
SCHEMBL14543462 0.72 KMT2A (0.66) HTTNPC1KDM4EPKMKMT2A

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 4 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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 — — 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 (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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 HTT 4444/4885NPC1 2446/4885KDM4E 2737/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 HTT 1308/4885NPC1 4627/4885KDM4E 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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