SCHEMBL1244949

SCHEMBL1244949

OCCc1ccc(CCBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.59
▸ TDP1 Q9NUW8 2/20 0.55
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CA1 P00915 3/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ BACE1 P56817 1/20 0.46

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
SCHEMBL1396008 0.89 CA2 (0.48) CA2TDP1MEN1KMT2ACA1
SCHEMBL40656 0.85 CA2 (0.77) CA2TDP1CA1CA12CA4
SCHEMBL2281085 0.85 TDP1 (0.71) CA2TDP1MEN1KMT2ATSHR
SCHEMBL1919140 0.83 TDP1 (0.55) CA2TDP1MEN1KMT2ACA1
SCHEMBL1109793 0.83 CA2 (0.59) CA2TDP1CA1CA12CA4
SCHEMBL30932186 0.82 TDP1 (0.67) CA2TDP1MEN1KMT2AESR1
SCHEMBL6057959 0.82 CA2 (0.72) CA2TDP1CA1CA12CA4
SCHEMBL1244983 0.80 TDP1 (0.52) CA2TDP1MEN1KMT2AKDM4E
SCHEMBL5638 0.78 CA2 (0.59) CA2TDP1CA1CA12CA4
SCHEMBL990720 0.78 KMT2A (0.69) CA2TDP1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022011211-A1 DEOXYNOJIRIMYCIN DERIVATIVES AS GLUCOSIDASE INHIBITORS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2022-01-13 — — WO disclosed
CN-109195975-B Diazaspiro [5.5] undecane derivative and application thereof 四川海思科制药有限公司 2022-01-04 — — CN disclosed
CN-107849008-B Octahydrocyclopenta [ c ] pyrrole derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-04-09 — — CN disclosed
CN-106565674-B Octahydrocyclopenta [ c ] pyrrole derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-02-05 — — CN disclosed
CN-109928953-A A kind of carboxylic ester derivative and its purposes in medicine 四川海思科制药有限公司 2019-06-25 — — CN disclosed
CN-109195975-A Diazaspiro [5.5] undecane derivative and application thereof 四川海思科制药有限公司 2019-01-11 — — CN disclosed
CN-107849008-A A kind of octahydro pentamethylene simultaneously [c] azole derivatives and preparation method thereof and purposes in medicine 四川海思科制药有限公司 2018-03-27 — — CN disclosed
CN-106565674-A Octahydrocyclopentano[c]pyrrole derivatives, and preparation methods and medicinal application thereof 四川海思科制药有限公司 2017-04-19 — — CN disclosed
CN-105121423-A Novel 3- (4- (benzyloxy) phenyl) hex-4-ynoic acid derivative, method for preparing the same, and pharmaceutical composition for preventing and treating metabolic diseases comprising the same as an effective ingredient HYUNDAI PHARM CO LTD 2015-12-02 — — CN disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 — — US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 — — US disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 — — EP disclosed
CN-101282949-B Azole and thiazole derivatives and uses thereof ARGENTA DISCOVERY LTD 2012-05-23 — — CN disclosed
CN-102083839-A Compound (I) ASTRAZENECA AB 2011-06-01 — — CN disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 — — US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 — — WO disclosed
WO-2010067102-A1 DIAZASPIRO [5.5] UNDECANE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC-RECEPTOR ANTAGONISTS AND BETA-ADRENORECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY DISORDERS ASTRAZENECA AB (SE) 2010-06-17 — — WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 — — WO disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 — — WO disclosed
CN-101282949-A Azole and thiazole derivatives and their use ARGENTA DISCOVERY LTD (GB) 2008-10-08 — — CN 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CA2 1251/4885TDP1 4658/4885MEN1 3295/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CA2 1251/4885TDP1 4658/4885MEN1 3295/4885

“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.

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