Sugi Predict

Sugi Predict / Compounds / SCHEMBL28690748

SCHEMBL28690748

SCHEMBL28690748

CCC(Br)C(=O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FOLH1 Q04609 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SGMS2 Q8NHU3 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36

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
SCHEMBL1205431 0.85 SMN1; SMN2 (0.41) L3MBTL1MAPTSMN1; SMN2TDP1CYP2C9
SCHEMBL28703435 0.84 SGMS2 (0.38) L3MBTL1MAPTSMN1; SMN2TDP1CYP2C9
SCHEMBL98338 0.83 MAPT (0.54) L3MBTL1MAPTSMN1; SMN2TDP1CYP2C9
SCHEMBL29498305 0.83 MAPT (0.54) L3MBTL1MAPTSMN1; SMN2TDP1CYP2C9
SCHEMBL28694265 0.82 MAPT (0.43) L3MBTL1MAPTSMN1; SMN2TDP1CYP2C9
SCHEMBL99439 0.81 HPGDS (0.44) L3MBTL1MAPTSMN1; SMN2TDP1CYP2C9
SCHEMBL9565258 0.81 SMN1; SMN2 (0.42) L3MBTL1MAPTSMN1; SMN2TDP1CYP2C9
SCHEMBL22498675 0.79 SGMS2 (0.52) L3MBTL1MAPTTDP1MEN1GAA
SCHEMBL18993737 0.79 SMN1; SMN2 (0.41) L3MBTL1MAPTSMN1; SMN2TDP1CYP2C9
SCHEMBL867483 0.79 SMN1; SMN2 (0.41) L3MBTL1MAPTSMN1; SMN2TDP1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213323-B New process for synthesizing procaterol hydrochloride 四川美域高生物医药科技有限公司 2023-06-02 — — CN claimed
CN-114105872-B Intermediate for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2023-05-23 — — CN claimed
CN-114195712-B Intermediate capable of being used for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2023-05-16 — — CN claimed
CN-114213323-A Novel process for synthesizing procaterol hydrochloride 四川美域高生物医药科技有限公司 2022-03-22 — — CN claimed
CN-114195712-A Intermediate capable of being used for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2022-03-18 — — CN claimed
CN-114105872-A Intermediate for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2022-03-01 — — CN claimed
CN-114213323-B New process for synthesizing procaterol hydrochloride 四川美域高生物医药科技有限公司 2023-06-02 — — CN disclosed
CN-114213323-B New process for synthesizing procaterol hydrochloride 四川美域高生物医药科技有限公司 2023-06-02 — — CN disclosed
CN-114105872-B Intermediate for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2023-05-23 — — CN disclosed
CN-114195712-B Intermediate capable of being used for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2023-05-16 — — CN disclosed
CN-114213323-A Novel process for synthesizing procaterol hydrochloride 四川美域高生物医药科技有限公司 2022-03-22 — — CN disclosed
CN-114213323-A Novel process for synthesizing procaterol hydrochloride 四川美域高生物医药科技有限公司 2022-03-22 — — CN disclosed
CN-114195712-A Intermediate capable of being used for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2022-03-18 — — CN disclosed
CN-114105872-A Intermediate for preparing procaterol hydrochloride and preparation method thereof 四川美域高生物医药科技有限公司 2022-03-01 — — CN disclosed