SCHEMBL22407028

SCHEMBL22407028

Cc1ccc(-c2cc(C(F)(F)F)on2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TP53 P04637 3/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.41
MAPT P10636 6/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL24168447 0.82 POLB (0.40) NPC1RAB9AL3MBTL1TSHRPOLB
SCHEMBL30334696 0.82 POLB (0.40) NPC1RAB9AL3MBTL1TSHRPOLB
SCHEMBL11965513 0.78 NPC1 (0.44) NPC1RAB9AL3MBTL1TP53HPGD
SCHEMBL22406988 0.78 L3MBTL1 (0.34) NPC1RAB9AL3MBTL1POLBMAPT
SCHEMBL30494642 0.78 L3MBTL1 (0.34) NPC1RAB9AL3MBTL1POLBMAPT
SCHEMBL28977122 0.76 RAB9A (0.51) NPC1RAB9AL3MBTL1TP53POLB
SCHEMBL30702173 0.73 NPC1 (0.36) NPC1RAB9AL3MBTL1HPGDPOLB
SCHEMBL24168949 0.73 POLB (0.40) NPC1RAB9AL3MBTL1HPGDTSHR
SCHEMBL20360230 0.73 NPC1 (0.36) NPC1RAB9AL3MBTL1HPGDPOLB
SCHEMBL30334691 0.72 RARA (0.35) NPC1RAB9AL3MBTL1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111683930-B Novel isoxazole compound or salt thereof 日本欧爱特农业科技株式会社 2023-06-27 CN disclosed
EP-3717461-B1 A NOVEL ISOXAZOLE COMPOUND OR A SALT THEREOF OAT AGRIO CO LTD (JP) 2022-06-15 EP disclosed
US-11116218-B2 Isoxazole compound or a salt thereof OAT AGRIO CO., LTD. (JP) 2021-09-14 US disclosed
EP-3717461-A1 A NOVEL ISOXAZOLE COMPOUND OR A SALT THEREOF OAT Agrio Co., Ltd. (JP) 2020-10-07 EP disclosed
CN-111683930-A Novel isoxazole compound or salt thereof 日本欧爱特农业科技株式会社 2020-09-18 CN disclosed
US-20200288717-A1 A NOVEL ISOXAZOLE COMPOUND OR A SALT THEREOF OAT & IIL INDIA LABORATORIES PRIVATE LIMITED (IN) 2020-09-17 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 (2 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-11116218-B2 Isoxazole compound or a salt thereof HCN1, HAX1, HCN4 NPC1 492/4885RAB9A 1471/4885L3MBTL1 951/4885
US-20200288717-A1 A NOVEL ISOXAZOLE COMPOUND OR A SALT THEREOF HAX1, HCN1, HCN4 NPC1 730/4885RAB9A 1308/4885L3MBTL1 746/4885

“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.