SCHEMBL3130662

SCHEMBL3130662

CNCc1ccccc1OC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ SLC6A4 P31645 11/20 0.50
▸ HTR2A P28223 4/20 0.50
▸ SLC6A2 P23975 8/20 0.49
▸ SLC6A3 Q01959 7/20 0.49
▸ KCNH2 Q12809 4/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ TACR1 P25103 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ KCNN3 Q9UGI6 1/20 0.43

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
SCHEMBL22957673 0.84 MCL1 (0.49) MCL1ALDH1A1PKMSLC6A4HTR2A
SCHEMBL6151984 0.84 SLC6A4 (0.66) SLC6A4HTR2ASLC6A2SLC6A3KCNH2
SCHEMBL22957856 0.83 HDAC3 (0.49) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL16797883 0.82 HDAC3 (0.46) ALDH1A1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL13875905 0.82 HTT (0.51) PKMSLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL29808598 0.82 GAA (0.54) ALDH1A1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL13359870 0.82 TAAR1 (0.53) ALDH1A1SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL24710168 0.81 MAPT (0.58) ALDH1A1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL15979344 0.81 TACR1 (0.45) SLC6A4SLC6A2SLC6A3CYP2C19HDAC3
SCHEMBL18588991 0.81 SLC6A4 (0.59) MCL1ALDH1A1PKMSLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365567-A1 COMPOUNDS Esfam Biotech Pty Ltd (AU) 2023-11-16 — — US disclosed
CN-116829558-A Compounds of formula (I) 艾斯法姆生物技术股份有限公司 2023-09-29 — — CN disclosed
EP-4188933-A1 COMPOUNDS Esfam Biotech Pty Ltd. (AU) 2023-06-07 — — EP disclosed
EP-3849968-B1 1H-INDAZOLE CARBOXAMIDES AS RECEPTOR-INTERACTING PROTEIN KINASE 1 INHIBITORS (RIPK1) BRISTOL MYERS SQUIBB CO (US) 2022-12-21 — — EP disclosed
EP-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 — — EP disclosed
US-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2022-02-22 — — US disclosed
WO-2022020887-A1 TREATMENT OF CD151 RELATED DISORDERS Esfam Biotech Pty Ltd (AU) 2022-02-03 — — WO disclosed
WO-2022020888-A1 COMPOUNDS Esfam Biotech Pty Ltd (AU) 2022-02-03 — — WO disclosed
WO-2022020890-A1 TREATMENT OF VETERINARY CONDITIONS ASSOCIATED WITH CD151 Esfam Biotech Pty Ltd (AU) 2022-02-03 — — WO disclosed
WO-2022020889-A1 METHOD OF TREATMENT OF CYTOMEGALOVIRUS Esfam Biotech Pty Ltd (AU) 2022-02-03 — — WO disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 — — US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 — — US disclosed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 — — US disclosed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 — — US disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 — — WO disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 — — WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 — — EP disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 — — US disclosed
US-7247756-B2 1,4-disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2007-07-24 — — US disclosed
US-7247756-B2 1,4-disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2007-07-24 — — 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-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC MCL1 1058/4885ALDH1A1 1245/4885PKM 1264/4885
US-20230365567-A1 COMPOUNDS CD81, CD47, CD59 MCL1 290/4885ALDH1A1 128/4885PKM 4516/4885
US-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 MCL1 3798/4885ALDH1A1 3645/4885PKM 2447/4885
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B MCL1 3041/4885ALDH1A1 839/4885PKM 2356/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B MCL1 3041/4885ALDH1A1 839/4885PKM 2356/4885

“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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