SCHEMBL995812

SCHEMBL995812

N#Cc1ccc(N(c2ccc(C#N)cc2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
CYP2A6 P11509 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ENPP2 Q13822 1/20 0.50
TSHR P16473 1/20 0.48
LOXL2 Q9Y4K0 2/20 0.44
MMP3 P08254 1/20 0.44
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
CA1 P00915 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KIF11 P52732 2/20 0.39

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
SCHEMBL25544161 0.92 MMP3 (0.56) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL25543233 0.92 MMP3 (0.56) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL13748820 0.90 TSHR (0.59) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL13748419 0.90 TSHR (0.59) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL8849586 0.90 TSHR (0.59) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL151680 0.90 TSHR (0.59) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL13748038 0.90 TSHR (0.59) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL8849587 0.88 ALDH1A1 (0.50) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL212777 0.88 ALDH1A1 (0.54) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL14128563 0.88 MAOA (0.57) CA2CYP2A6ALDH1A1CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115106093-B Preparation method and application of metal covalent organic framework catalyst 中科澜荷(山东)新材料有限责任公司 2023-12-22 CN claimed
CN-115106093-A Preparation method and application of metal covalent organic framework catalyst 中科澜荷(山东)新材料有限责任公司 2022-09-27 CN claimed
CN-113912844-B Triazine ring connection-based aromatic two-dimensional organic framework nano material and preparation method thereof 中国矿业大学 2022-06-21 CN claimed
CN-107484436-B Organic field effect transistor with low contact resistance 巴斯夫欧洲公司 2021-09-03 CN claimed
US-10276815-B2 Organic field-effect-transistors with low contact resistance BASF SE (DE) 2019-04-30 US claimed
US-20180026215-A1 ORGANIC FIELD-EFFECT-TRANSISTORS WITH LOW CONTACT RESISTANCE BASF SE (DE) 2018-01-25 US claimed
WO-2016124533-A1 ORGANIC FIELD-EFFECT-TRANSISTORS WITH LOW CONTACT RESISTANCE BASF SE (DE) 2016-08-11 WO claimed
EP-2456555-A1 METHOD FOR OXIDIZING METHANE Studiengesellschaft Kohle MbH (DE) 2012-05-30 EP claimed
US-20120130071-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2012-05-24 US claimed
WO-2011009429-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-01-27 WO claimed
CN-115106093-B Preparation method and application of metal covalent organic framework catalyst 中科澜荷(山东)新材料有限责任公司 2023-12-22 CN disclosed
CN-115106093-A Preparation method and application of metal covalent organic framework catalyst 中科澜荷(山东)新材料有限责任公司 2022-09-27 CN disclosed
CN-113912844-B Triazine ring connection-based aromatic two-dimensional organic framework nano material and preparation method thereof 中国矿业大学 2022-06-21 CN disclosed
CN-107484436-B Organic field effect transistor with low contact resistance 巴斯夫欧洲公司 2021-09-03 CN disclosed
CN-109713327-A A kind of non-precious metal catalyst and preparation method thereof 中国科学院福建物质结构研究所 2019-05-03 CN disclosed
EP-2014699-B1 Method of preparing organic porous solids and solids obtainable by this method MAX PLANCK GESELLSCHAFT (DE) 2009-09-02 EP disclosed
EP-2014699-B1 Method of preparing organic porous solids and solids obtainable by this method MAX PLANCK GESELLSCHAFT (DE) 2009-09-02 EP disclosed
EP-2014699-A1 Method of preparing organic porous solids and solids obtainable by this method Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-01-14 EP disclosed
EP-2014699-A1 Method of preparing organic porous solids and solids obtainable by this method Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-01-14 EP disclosed
WO-2008152147-A1 METHOD OF PREPARING ORGANIC POROUS SOLIDS AND SOLIDS OBTAINABLE BY THIS METHOD MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-12-18 WO 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 (1 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-20120130071-A1 METHOD FOR OXIDIZING METHANE TST, MGMT, PMS2 CA2 133/4885CYP2A6 2496/4885ALDH1A1 4463/4885

“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.