SCHEMBL307886

SCHEMBL307886

N#Cc1cc(Br)cc(CBr)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.40
ALB P02768 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.32
MEP1A Q16819 1/20 0.32
MEP1B Q16820 1/20 0.32
CYP2A6 P11509 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
GSK3B P49841 2/20 0.31
HTT P42858 1/20 0.31
IDO1 P14902 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL916379 0.86 TTR (0.41) TTRALBMEN1KMT2AMAOB
SCHEMBL14689467 0.86 TTR (0.41) TTRALBMEN1KMT2AMAOB
SCHEMBL27902180 0.83 MEN1 (0.38) TTRALBMEN1KMT2AMAOB
SCHEMBL9948485 0.81 CYP2A6 (0.48) TTRALBMEN1KMT2AMAOB
SCHEMBL1363861 0.81 LOXL2 (0.48) TTRALBMEN1KMT2AMAOB
SCHEMBL2161079 0.81 TTR (0.43) TTRALBMEN1KMT2AMAOB
SCHEMBL504640 0.78 TTR (0.52) TTRALBMEN1KMT2AMAOB
SCHEMBL200313 0.78 TTR (0.52) TTRALBMEN1KMT2AMAOB
SCHEMBL19442430 0.78 LOXL2 (0.52) TTRALBMEN1KMT2ACYP2A6
SCHEMBL19440748 0.78 MEN1 (0.36) TTRALBMEN1KMT2AMAOB

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591351-B Polycyclic compound and preparation method and application thereof 成都科岭源医药技术有限公司 2023-12-05 CN disclosed
CN-115960094-A Preparation and application of aromatic ring substituted methylamine derivative 上海璎黎药业有限公司 2023-04-14 CN disclosed
WO-2022117090-A1 POLYCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都科岭源医药技术有限公司 2022-06-09 WO disclosed
CN-114591351-A Polycyclic compound and preparation method and application thereof 成都科岭源医药技术有限公司 2022-06-07 CN disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 WO disclosed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 US disclosed
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-09 US disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 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 (5 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-20090203677-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE4B, PDE1A TTR 4826/4885ALB 4728/4885MEN1 4113/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP TTR 756/4885ALB 2213/4885MEN1 2593/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP TTR 756/4885ALB 2213/4885MEN1 2593/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 TTR 4699/4885ALB 4592/4885MEN1 3908/4885
US-20170319578-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP TTR 756/4885ALB 2213/4885MEN1 2593/4885

“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.