SCHEMBL8032392

SCHEMBL8032392

CC(C)(C)OC(=O)CCNC(=O)c1ccc(Oc2cccc3cccnc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
KDM4E B2RXH2 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
CCR6 P51684 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK14 Q16539 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL8041826 0.86 MCHR1 (0.53) ITGB3ITGAV
SCHEMBL8045987 0.85 POLB (0.64) KDM4EKMT2AMEN1MAPK1POLB
SCHEMBL14267358 0.74 NPC1 (0.61) KMT2AMEN1MAPK1POLBMAPT
SCHEMBL9343462 0.73 MAPT (0.59) KDM4EKMT2AMEN1POLBMAPT
SCHEMBL8043868 0.73 LMNA (0.57) KDM4EKMT2AMEN1POLBMAPT
SCHEMBL8352922 0.73 L3MBTL1 (0.54) KMT2AMEN1POLBHDAC6L3MBTL1
SCHEMBL27453159 0.72 PRSS1 (0.69) KDM4EPOLBLMNACYP1A2CYP3A4
SCHEMBL8043949 0.72 MCHR1 (0.51) KMT2AMEN1POLB
SCHEMBL18897013 0.71 NPC1 (0.56) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL2268285 0.71 ESRRG (0.54) KMT2AMEN1MAPK1MAPTALDH1A1

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 7 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-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-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES PHARMACOPEIA, INC. (US) 2008-02-28 US disclosed
WO-2007001249-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES PHARMACOPEIA, INC. (US) 2007-01-04 WO 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
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 133/4885KDM4E 2674/4885
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES EDNRA, EDNRB, ESRRB ITGB3 672/4885ITGAV 1292/4885KDM4E 3106/4885

“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.