SCHEMBL8041869

SCHEMBL8041869

CC(=O)Oc1c(C)cc(Br)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 3/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
POLB P06746 3/20 0.42
CFD P00746 2/20 0.40
PKM P14618 1/20 0.40
CA2 P00918 1/20 0.39
LMNA P02545 2/20 0.39
ACHE P22303 2/20 0.38
BACE1 P56817 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
Hydrochloric Acid SCHEMBL29021152 0.98 KDM4E (0.47) KDM4EHSD17B10HTTTP53GAA
SCHEMBL12012725 0.85 KDM4E (0.41) KDM4EHSD17B10HTTTP53GAA
SCHEMBL3156904 0.82 KDM4E (0.52) KDM4EHSD17B10HTTTP53GAA
SCHEMBL4764432 0.81 CYP1A2 (0.40) KDM4EHSD17B10HTTTP53GAA
SCHEMBL23809728 0.80 BACE1 (0.52) KDM4EHSD17B10HTTTP53GAA
SCHEMBL3600800 0.80 HSD17B10 (0.55) KDM4EHSD17B10HTTTP53GAA
SCHEMBL4647729 0.80 HSD17B10 (0.50) KDM4EHSD17B10HTTTP53GAA
SCHEMBL10790928 0.78 HTT (0.49) KDM4EHSD17B10HTTTP53GAA
SCHEMBL7233258 0.78 KDM4E (0.49) KDM4EHSD17B10HTTTP53GAA
SCHEMBL12299731 0.78 KDM4E (0.49) KDM4EHSD17B10HTTTP53GAA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624131-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-03-01 CN disclosed
CN-117624130-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-03-01 CN disclosed
CN-116323565-A 3- [ (1H-pyrazol-4-yl) oxy ] pyrazin-2-amine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2023-06-23 CN disclosed
CN-107266306-A Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds 拜耳知识产权有限责任公司 2017-10-20 CN disclosed
CN-103980109-B Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds 拜尔农作物科学股份公司 2017-05-03 CN disclosed
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 KDM4E 2674/4885HSD17B10 2417/4885HTT 3577/4885
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES EDNRA, EDNRB, ESRRB KDM4E 3106/4885HSD17B10 503/4885HTT 1699/4885

“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.