SCHEMBL8249487

SCHEMBL8249487

N#Cc1ccc(Oc2cccc3cccnc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 1/20 0.50
GCK P35557 1/20 0.50
CYP19A1 P11511 1/20 0.49
GLO1 Q04760 1/20 0.48
PKM P14618 1/20 0.46
ALOX12 P18054 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGDS O60760 1/20 0.44
SLC6A4 P31645 1/20 0.43
SCN9A Q15858 1/20 0.43
ACHE P22303 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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 0.80 RAB9A (0.68) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL8203474 0.80 KDM4E (0.57) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL6222129 0.80 KDM4E (0.57) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL9447019 0.80 KDM4E (0.57) MEN1KMT2AKDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL9052059 0.79 RAB9A (0.66) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL6756968 0.78 GCK (0.55) GCKCYP19A1SLC6A4
SCHEMBL1328022 0.78 CYP19A1 (0.51) GCKCYP19A1SLC6A4
SCHEMBL1328460 0.78 CYP19A1 (0.51) MEN1KMT2ARAB9AGCKCYP19A1
SCHEMBL16267806 0.78 CYP19A1 (0.51) GCKCYP19A1SLC6A4SCN9A
SCHEMBL4386263 0.78 KDM4E (0.72) MEN1KMT2AKDM4EMAPTLMNA

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-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
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

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 MEN1 1094/4885KMT2A 3312/4885KDM4E 2674/4885
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES EDNRA, EDNRB, ESRRB MEN1 833/4885KMT2A 4284/4885KDM4E 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.