SCHEMBL28869604

SCHEMBL28869604

Fc1ccc(-c2noc(CCl)n2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.52
S1PR3 Q99500 1/20 0.52
NOTUM Q6P988 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA5 P30532 1/20 0.47
CHRNA4 P43681 1/20 0.47
SIRT2 Q8IXJ6 6/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL27207685 0.88 NOTUM (0.49) S1PR1S1PR3NOTUMSIRT2NPC1
SCHEMBL27207690 0.86 FFAR1 (0.52) S1PR1S1PR3NOTUMNPC1RAB9A
SCHEMBL23409864 0.84 S1PR1 (0.46) S1PR1S1PR3NOTUMSIRT2NPC1
SCHEMBL29788390 0.84 S1PR1 (0.46) S1PR1S1PR3NOTUMSIRT2NPC1
SCHEMBL27207686 0.83 LMNA (0.58) S1PR1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL2107628 0.81 NPC1 (0.64) S1PR1NOTUMSIRT2NPC1RAB9A
SCHEMBL507782 0.80 NOTUM (0.72) NOTUMSIRT2NPC1RAB9AHTT
SCHEMBL1544532 0.79 TP53 (0.52) NOTUMNPC1RAB9AHTTSMN1; SMN2
SCHEMBL10905724 0.78 RAB9A (0.56) S1PR1NOTUMNPC1RAB9AHTT
SCHEMBL30566767 0.78 RAB9A (0.56) S1PR1NOTUMNPC1RAB9AHTT

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 2817/4885NOTUM 443/4885

“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.