SCHEMBL14028403

SCHEMBL14028403

Cc1cccc(CSc2ncc(CO)n2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C19 P33261 2/20 1.00
ALDH1A1 P00352 6/20 0.73
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
PKM P14618 1/20 0.49
THRB P10828 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL14028405 0.85 ALDH1A1 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL14028404 0.77 RAB9A (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL3764283 0.72 ALDH1A1 (0.62) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL6749949 0.68 NPC1 (0.58) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL21447625 0.68 KMT2A (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL10735 0.65
SCHEMBL6926694 0.64 CYP11B1 (0.52) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2804525 0.64 TAAR1 (0.58) MEN1KMT2ACYP1A2CYP3A4CYP2C19
Ammonia Solution, Strong SCHEMBL28623820 0.64 TAAR1 (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL29706002 0.64 ALDH1A1 (0.60) MEN1KMT2ACYP1A2CYP2C19ALDH1A1

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 MEN1 508/4885KMT2A 3689/4885CYP1A2 4748/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 MEN1 792/4885KMT2A 4025/4885CYP1A2 4868/4885

“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.