SCHEMBL14028296

SCHEMBL14028296

c1ccc2c(c1)Cc1cc(Nc3ccc4c(c3)OCO4)ccc1-2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.57
DHODH Q02127 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
ADRA2A P08913 1/20 0.48
MAOA P21397 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 6/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
HSD17B10 Q99714 5/20 0.47
TP53 P04637 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 3/20 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
SCHEMBL2168131 0.84 CYP1A2 (0.66) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL1921953 0.82 CYP1A2 (0.64) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL2165580 0.79 CYP1A2 (0.60) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL378949 0.79 SMN1; SMN2 (0.62) DHODHCYP3A4ADRA2ASMN1; SMN2MAPT
SCHEMBL1921940 0.78 CYP1A2 (0.58) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL7926077 0.77 EGFR (0.58) DHODHCYP1A2CYP3A4ADRA2ASLC6A2
SCHEMBL2522352 0.77 CYP1A2 (0.56) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL1920755 0.77 NPC1 (0.60) DHODHADRA2ASMN1; SMN2MAPTNPC1
SCHEMBL7928874 0.76 DHODH (0.61) HIF1ADHODHSMN1; SMN2MAPTNPC1
SCHEMBL21992230 0.76 DHODH (0.48) HIF1ADHODHSMN1; SMN2MAPTNPC1

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 HIF1A 1276/4885DHODH 4694/4885CYP1A2 4748/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 HIF1A 1897/4885DHODH 4517/4885CYP1A2 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.