SCHEMBL8043747

SCHEMBL8043747

CNc1nc2c(Oc3c(OC)cc(C(=O)NCCC(=O)O)cc3OC)cccc2n1C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGAV P06756 1/20 0.58
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 3/20 0.44
BRD4 O60885 2/20 0.44
MEN1 O00255 1/20 0.42
GCG P01275 1/20 0.41
ATM Q13315 1/20 0.41
SLC29A1 Q99808 1/20 0.40

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
SCHEMBL8042662 0.89 ITGB3 (0.73) ITGB3ITGAVPOLBSMN1; SMN2MAPK1
SCHEMBL8033060 0.79 ITGB3 (0.75) ITGB3ITGAVPOLBSMN1; SMN2KMT2A
SCHEMBL8047151 0.79 ITGB3 (0.59) ITGB3ITGAVPOLBSMN1; SMN2MAPK1
SCHEMBL8044747 0.79 ITGB3 (0.75) ITGB3ITGAVPOLBSMN1; SMN2MAPK1
SCHEMBL8043852 0.78 MCHR1 (0.55) ITGB3ITGAVPOLBSMN1; SMN2MAPK1
SCHEMBL8047448 0.77 CYP3A4 (0.50) ITGB3ITGAVPOLBSMN1; SMN2MAPK1
SCHEMBL8043714 0.75 ITGB3 (0.54) ITGB3ITGAVPOLBSMN1; SMN2MAPK1
SCHEMBL3207873 0.75 SMN1; SMN2 (0.79) POLBSMN1; SMN2MAPK1KMT2ABRD4
SCHEMBL8044789 0.74 ITGB3 (0.82) ITGB3ITGAVSMN1; SMN2
SCHEMBL8050830 0.73 ITGB3 (1.00) ITGB3ITGAVSMN1; SMN2KMT2AMEN1

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-7365209-B2 Nitrogen heterocycle biaryls for osteoporosis and other diseases PHARMACOPEIA, INC. (US) 2008-04-29 US disclosed
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES PHARMACOPEIA, INC. (US) 2008-02-28 US disclosed
US-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion PHARMACOPEIA, INC. (US) 2005-10-06 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-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion MSR1, EDNRA, GPR174 ITGB3 28/4885ITGAV 133/4885POLB 3481/4885
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES EDNRA, EDNRB, ESRRB ITGB3 672/4885ITGAV 1292/4885POLB 1004/4885

“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.