SCHEMBL14028404

SCHEMBL14028404

Cn1c(CO)cnc1SCc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 1.00
NPC1 O15118 1/20 1.00
ALDH1A1 P00352 5/20 0.74
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
HRH3 Q9Y5N1 2/20 0.57
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
THRB P10828 1/20 0.52
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL14028405 0.85 ALDH1A1 (1.00) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14028403 0.77 MEN1 (1.00) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3764283 0.75 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6975989 0.75 RAB9A (0.59) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6749949 0.74 NPC1 (0.58) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3538332 0.71 HRH3 (1.00) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL25933169 0.70 MAPT (0.63) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4202140 0.69 KMT2A (0.76) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21280543 0.68 RAB9A (0.59) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13059104 0.67

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 RAB9A 248/4885NPC1 2446/4885ALDH1A1 4299/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 RAB9A 2023/4885NPC1 4627/4885ALDH1A1 3838/4885

“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.