SCHEMBL8043868

SCHEMBL8043868

O=C(O)c1ccc(Oc2cccc3cccnc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
HDAC6 Q9UBN7 2/20 0.57
METAP2 P50579 1/20 0.57
METAP1 P53582 1/20 0.57
KDM4E B2RXH2 5/20 0.51
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.48
GAA P10253 1/20 0.48
FEN1 P39748 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL546185 0.82 RAB9A (0.68) LMNAHDAC6METAP2METAP1KDM4E
Hydrochloric Acid SCHEMBL9052059 0.81 RAB9A (0.66) LMNAHDAC6METAP2METAP1KDM4E
SCHEMBL2293819 0.81 KDR (0.59) HDAC6KDM4EMAPTMEN1KMT2A
SCHEMBL1476228 0.79 RXRA (0.49) GAA
SCHEMBL6222129 0.78 KDM4E (0.57) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL9447019 0.78 KDM4E (0.57) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL8203474 0.78 KDM4E (0.57) LMNAKDM4EMAPTMEN1KMT2A
SCHEMBL10989188 0.77 MMP2 (0.57) HDAC6KMT2APOLB
SCHEMBL4386263 0.77 KDM4E (0.72) LMNAHDAC6METAP2METAP1KDM4E
SCHEMBL10084181 0.77 LMNA (0.46) LMNAHDAC6METAP2METAP1KDM4E

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 6 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
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 LMNA 813/4885HDAC6 1748/4885METAP2 1847/4885
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES EDNRA, EDNRB, ESRRB LMNA 1865/4885HDAC6 2156/4885METAP2 3787/4885

“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.