SCHEMBL12153223

SCHEMBL12153223

FC(F)(F)c1cccc(I)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.43
▸ NOTUM Q6P988 1/20 0.42
▸ IDH1 O75874 9/20 0.41
▸ IDH2 P48735 2/20 0.41
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ PGK1 P00558 1/20 0.38
▸ PGK2 P07205 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ AHR P35869 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
SCHEMBL30565508 1.00 P2RX7 (0.43) P2RX7NOTUMIDH1IDH2GABRA1
SCHEMBL1274457 0.82 IDH1 (0.40) IDH1IDH2
SCHEMBL25568031 0.82 PGK1 (0.35) P2RX7IDH1IDH2PGK1PGK2
SCHEMBL23967218 0.82 IDH1 (0.37) P2RX7IDH1IDH2PGK1PGK2
SCHEMBL3295150 0.82 P2RX7 (0.50) P2RX7NOTUMIDH1IDH2GABRA1
SCHEMBL12221318 0.76 HTR3E (0.37) IDH1IDH2
SCHEMBL23966994 0.76 HSD11B1 (0.40) IDH1IDH2PGK1PGK2ADRB1
SCHEMBL30395354 0.75 NOTUM (0.58) P2RX7NOTUMIDH1IDH2GABRA1
SCHEMBL15624402 0.75 NOTUM (0.58) P2RX7NOTUMIDH1IDH2GABRA1
SCHEMBL415739 0.73 P2RX7 (0.44) P2RX7NOTUMIDH1IDH2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388536-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS HOFFMANN-LA ROCHE INC. (US) 2025-12-25 — — US disclosed
US-20250115576-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2025-04-10 — — US disclosed
US-12209075-B2 Pyridine-sulfonamide derivatives as sodium channel inhibitors GENENTECH, INC. (US) 2025-01-28 — — US disclosed
US-20240246932-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-07-25 — — US disclosed
EP-4334306-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme LLC (US) 2024-03-13 — — EP disclosed
CN-117597339-A Aryl 3-oxo-piperazine carboxamides and heteroaryl 3-oxo-piperazine carboxamides as NAV1.8 inhibitors 默沙东有限责任公司 2024-02-23 — — CN disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 — — WO disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 — — WO disclosed
WO-2022235558-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-11-10 — — WO disclosed
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 — — US disclosed
WO-2014099694-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 — — WO disclosed
US-8722690-B2 Mesoionic pesticides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 — — US disclosed
EP-2462124-B1 MESOIONIC PESTICIDES DU PONT (US) 2014-01-08 — — EP disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 — — EP disclosed
WO-2013059589-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO disclosed
US-20120277100-A1 MESOIONIC PESTICIDES FMC CORPORATION 2012-11-01 — — US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 — — EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 — — 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 (7 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 P2RX7 3411/4885NOTUM 2035/4885IDH1 3478/4885
US-20240246932-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS TRPV1, SCN8A, SCN2A P2RX7 178/4885NOTUM 2373/4885IDH1 2918/4885
US-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 P2RX7 1128/4885NOTUM 3624/4885IDH1 398/4885
US-20250388536-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS CNR2, CNR1, FAAH2 P2RX7 584/4885NOTUM 3368/4885IDH1 1313/4885
US-12209075-B2 Pyridine-sulfonamide derivatives as sodium channel inhibitors SCN1B, CACNA1A, SCN1A P2RX7 131/4885NOTUM 3757/4885IDH1 1908/4885
US-20120277100-A1 MESOIONIC PESTICIDES CHRM3, CHRM2, CHRM5 P2RX7 155/4885NOTUM 1286/4885IDH1 2751/4885
US-20250115576-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF F12, REN, ZYX P2RX7 1296/4885NOTUM 2494/4885IDH1 3065/4885

“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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