Sugi Predict

Sugi Predict / Compounds / SCHEMBL3748487

SCHEMBL3748487

SCHEMBL3748487

Cc1ccccc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SLC6A4 P31645 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CACNA1B Q00975 2/20 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
SCHEMBL28638978 0.86 L3MBTL1 (0.52) ALDH1A1HPGDL3MBTL1RAB9AMAPK14
SCHEMBL7690257 0.84 ALDH1A1 (0.59) ARSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL5608665 0.83 MAPT (0.50) ARSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL9859935 0.83 ALDH1A1 (0.49) ARSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL13680420 0.81 SLC6A4 (0.58) ARSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL3755350 0.80 ALDH1A1 (0.53) ARSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL18656165 0.80 L3MBTL1 (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1RAB9A
SCHEMBL14677727 0.79 LTA4H (0.52) ARALDH1A1L3MBTL1RAB9AMAPK14
SCHEMBL28816731 0.78 LTA4H (0.55) ARSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL172615 0.78 HTR2A (0.55) ARSMN1; SMN2ALDH1A1CYP1A2CYP2C9

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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 — — US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 — — EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 — — WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 — — US claimed
EP-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 — — EP disclosed
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 — — US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 — — US disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 — — US disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 — — EP disclosed
WO-2017177979-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE 中国科学院上海有机化学研究所 2017-10-19 — — WO disclosed
WO-2017012379-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE 中国科学院上海有机化学研究所 2017-01-26 — — WO disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 — — US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 — — EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 — — WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 — — US disclosed
US-4288386-A Ullmann reaction for the synthesis of diaryl ethers RHONE-POULENC INDUSTRIES (FR) 1981-09-08 — — 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-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 AR 2153/4885SMN1; SMN2 4066/4885ALDH1A1 79/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 AR 3330/4885SMN1; SMN2 2575/4885ALDH1A1 315/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 AR 2153/4885SMN1; SMN2 4066/4885ALDH1A1 79/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 AR 2720/4885SMN1; SMN2 3040/4885ALDH1A1 310/4885
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 AR 3097/4885SMN1; SMN2 4579/4885ALDH1A1 213/4885

“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.