SCHEMBL28869649

SCHEMBL28869649

Fc1ccc(-c2noc(CCl)n2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
AKR1B1 P15121 1/20 0.46
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CNR2 P34972 12/20 0.41
CNR1 P21554 9/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL1543797 0.88 S1PR1 (0.45) S1PR1S1PR3ALDH1A1ALOX15TSHR
SCHEMBL29077276 0.86 MAPT (0.46) S1PR1S1PR3HDAC1HDAC6ALDH1A1
SCHEMBL29077258 0.85 RAB9A (0.43) S1PR1S1PR3HDAC1HDAC6ALDH1A1
SCHEMBL28869651 0.85 CNR2 (0.43) S1PR1S1PR3CNR2CNR1NPC1
SCHEMBL28869611 0.84 S1PR1 (0.53) S1PR1S1PR3AKR1B1HDAC4HDAC1
SCHEMBL28869657 0.83 CNR2 (0.43) CNR2CNR1
SCHEMBL28869637 0.82 S1PR1 (0.36) S1PR1S1PR3AKR1B1ALDH1A1CNR2
SCHEMBL29077256 0.81 NPC1 (0.50) ALDH1A1ALOX15TSHRNPC1HTT
SCHEMBL27207683 0.77 RAB9A (0.37) S1PR1S1PR3HDAC1HDAC6ALDH1A1
SCHEMBL2107628 0.77 NPC1 (0.64) S1PR1HDAC1NPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093377-B Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof 贵州大学 2023-04-07 CN claimed
CN-115093377-A Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof 贵州大学 2022-09-23 CN claimed
US-20240300932-A1 N-PHENYLIMINE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF GUIZHOU UNIVERSITY (CN) 2024-09-12 US disclosed
WO-2024174317-A1 N-PHENYLIMINE-CONTAINING DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 贵州大学 2024-08-29 WO disclosed
CN-116731003-A N-phenylimine-containing derivative, and preparation method and application thereof 贵州大学 2023-09-12 CN disclosed
CN-115093377-B Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof 贵州大学 2023-04-07 CN disclosed
CN-115093377-A Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof 贵州大学 2022-09-23 CN 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 (1 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-20240300932-A1 N-PHENYLIMINE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF PNMT, NNMT, PAH S1PR1 3535/4885S1PR3 2817/4885AKR1B1 1764/4885

“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.