SCHEMBL8032408

SCHEMBL8032408

[C-]#[N+]c1ccc(Oc2cccc3cccnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
LMNA P02545 4/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
METAP2 P50579 2/20 0.44
METAP1 P53582 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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) KDM4ELMNAMAPTRAB9AMETAP2
SCHEMBL6222129 0.80 KDM4E (0.57) KDM4ELMNAMAPTRAB9ACYP1A2
SCHEMBL9447019 0.80 KDM4E (0.57) KDM4ELMNAMAPTRAB9ACYP1A2
SCHEMBL8203474 0.80 KDM4E (0.57) KDM4ELMNAMAPTRAB9ACYP1A2
Hydrochloric Acid SCHEMBL9052059 0.79 RAB9A (0.66) KDM4ELMNAMAPTRAB9AMETAP2
SCHEMBL4386263 0.78 KDM4E (0.72) KDM4ELMNAMAPTRAB9AMETAP2
SCHEMBL4568607 0.76 KDM4E (0.47) KDM4EMAPTRAB9AMETAP2METAP1
SCHEMBL8249487 0.76 MEN1 (0.58) KDM4ELMNAMAPTRAB9ACYP1A2
SCHEMBL8043868 0.75 LMNA (0.57) KDM4ELMNAMAPTRAB9AMETAP2
SCHEMBL3891777 0.74 MEN1 (0.68) KDM4ELMNAMAPTRAB9ANPC1

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 KDM4E 2674/4885LMNA 813/4885MAPT 4359/4885
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES EDNRA, EDNRB, ESRRB KDM4E 3106/4885LMNA 1865/4885MAPT 4055/4885

“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.