SCHEMBL3228041

SCHEMBL3228041

FC(F)(F)c1nnc(-c2ccc(Br)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.55
NPC1 O15118 8/20 0.50
RAB9A P51151 7/20 0.50
HDAC6 Q9UBN7 5/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 4/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 3/20 0.49
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL22116712 0.83 NPC1 (0.57) NPC1RAB9AHDAC6ALDH1A1CYP1A2
SCHEMBL22116888 0.81 NPC1 (0.59) NPC1RAB9AHDAC6ALDH1A1CYP1A2
SCHEMBL3756198 0.81 NPC1 (0.64) DGAT1NPC1RAB9AHDAC6ALDH1A1
SCHEMBL22116919 0.81 NPC1 (0.56) NPC1RAB9AHDAC6ALDH1A1CYP1A2
SCHEMBL22116917 0.81 NPC1 (0.57) NPC1RAB9AHDAC6ALDH1A1MEN1
SCHEMBL2463042 0.81 DGAT1 (0.55) DGAT1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL2245998 0.80 DGAT1 (0.72) DGAT1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL9610048 0.80 DGAT1 (0.72) DGAT1NPC1RAB9AALDH1A1CYP1A2
SCHEMBL22116883 0.79 NPC1 (0.60) NPC1RAB9AHDAC6ALDH1A1CYP1A2
SCHEMBL22530142 0.78 DGAT1 (0.47) DGAT1NPC1RAB9AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144815-A1 1,3,4-OXADIAZOLES AND THEIR DERIVATIVES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 US claimed
EP-3897154-A1 1,3,4-OXADIAZOLES AND THEIR DERIVATIVES AS NEW ANTIFUNGAL AGENTS Bayer Aktiengesellschaft (DE) 2021-10-27 EP claimed
WO-2020127974-A1 1,3,4-OXADIAZOLES AND THEIR DERIVATIVES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO claimed
US-20220144815-A1 1,3,4-OXADIAZOLES AND THEIR DERIVATIVES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 US disclosed
EP-3897154-A1 1,3,4-OXADIAZOLES AND THEIR DERIVATIVES AS NEW ANTIFUNGAL AGENTS Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
EP-3762367-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI Industries Ltd. (IN) 2021-01-13 EP disclosed
US-20210002232-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2021-01-07 US disclosed
US-20210002232-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2021-01-07 US disclosed
WO-2020127974-A1 1,3,4-OXADIAZOLES AND THEIR DERIVATIVES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
WO-2019171234-A9 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2020-01-09 WO disclosed
WO-2019171234-A9 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2020-01-09 WO disclosed
WO-2019171234-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2019-09-12 WO disclosed
WO-2019171234-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2019-09-12 WO disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2010-03-11 US disclosed
WO-2008108602-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2008-09-12 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 (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-20210002232-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 DGAT1 2214/4885NPC1 2957/4885RAB9A 1332/4885
US-20100063041-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME PPARA, PPARG, PPARD DGAT1 130/4885NPC1 1220/4885RAB9A 4118/4885
US-20220144815-A1 1,3,4-OXADIAZOLES AND THEIR DERIVATIVES AS NEW ANTIFUNGAL AGENTS CYP51A1, ERG28, DPM1 DGAT1 2747/4885NPC1 1800/4885RAB9A 4072/4885

“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.