SCHEMBL13368985

SCHEMBL13368985

Cc1cccc(C#N)c1I

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.60
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ AR P10275 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
Acetic Acid SCHEMBL29701133 0.90 TSHR (0.50) TSHRKDM4EALDH1A1L3MBTL1GAA
SCHEMBL3236721 0.83 TSHR (0.46) TSHRCYP1A2CYP2C19DYRK1AKDM4E
SCHEMBL22430830 0.79 TSHR (0.47) TSHRCYP1A2CYP2C19ARKDM4E
SCHEMBL29941499 0.76 TSHR (0.65) TSHRCYP1A2CYP2C19ARKDM4E
SCHEMBL21022697 0.76 TSHR (0.65) TSHRCYP1A2CYP2C19ARKDM4E
SCHEMBL4342357 0.76 DYRK1A (0.48) TSHRCYP1A2CYP2C19DYRK1AKDM4E
SCHEMBL102574 0.76 TSHR (0.65) TSHRCYP1A2CYP2C19ARKDM4E
SCHEMBL29414118 0.75 — —
SCHEMBL74392 0.75 — —
Hydrochloric Acid SCHEMBL20840273 0.74 TSHR (0.62) TSHRCYP1A2CYP2C19ARKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-16 — — US disclosed
CN-110526832-B Method for preparing polysubstituted alicyclic compound 浙江师范大学 2022-06-10 — — CN disclosed
WO-2022111521-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 — — WO disclosed
CN-107635970-B Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-03-12 — — CN disclosed
EP-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 — — EP disclosed
US-10611730-B2 Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 — — US disclosed
US-20190092735-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-03-28 — — US disclosed
WO-2019023417-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF TP THERAPEUTICS, INC. (US) 2019-01-31 — — WO disclosed
EP-3288936-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2018-03-07 — — EP disclosed
CN-105339355-B Novel CYP17 inhibitor/antiandrogen 奥赖恩公司 2018-02-27 — — CN disclosed
WO-2016176449-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 — — WO disclosed
CN-105339355-A Novel CYP17 inhibitor/antiandrogen ORION CORP 2016-02-17 — — CN disclosed
CN-104860885-A Naphthylamide compound, and preparation method and use thereof SHANGHAI INST MATERIA MEDICA 2015-08-26 — — CN disclosed
CN-104379560-A Benzamide derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 — — CN disclosed
CN-104379568-A Quinazolinedione derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 — — CN disclosed
EP-2066150-B1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC (KR) 2010-05-26 — — EP 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 (3 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-10611730-B2 Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators GRIN1, GABRE, GRIN3A TSHR 602/4885CYP1A2 2120/4885CYP2C19 823/4885
US-20230371357-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, CHRM1, FOXM1 TSHR 2605/4885CYP1A2 140/4885CYP2C19 477/4885
US-20190092735-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GABRE, GRIN3A TSHR 602/4885CYP1A2 2120/4885CYP2C19 823/4885

“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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