SCHEMBL25916014

SCHEMBL25916014

ClCc1nc(-c2ccc(I)cc2)no1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.51
SIRT2 Q8IXJ6 6/20 0.50
CYP1A2 P05177 3/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CYP2C19 P33261 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL507782 0.84 NOTUM (0.72) NOTUMSIRT2CYP1A2NPC1RAB9A
SCHEMBL2107628 0.82 NPC1 (0.64) NOTUMSIRT2NPC1RAB9AHTT
SCHEMBL12617891 0.82 NOTUM (0.64) NOTUMCYP1A2NPC1RAB9ATSHR
SCHEMBL201423 0.82 NOTUM (0.56) NOTUMSIRT2CYP1A2NPC1RAB9A
SCHEMBL10937283 0.82 SIRT2 (0.71) NOTUMSIRT2CYP1A2NPC1RAB9A
SCHEMBL10904042 0.82 SMN1; SMN2 (0.59) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL26009685 0.82 NOTUM (0.56) NOTUMSIRT2CYP1A2NPC1RAB9A
SCHEMBL28869610 0.82 SIRT2 (0.51) NOTUMSIRT2CYP1A2NPC1RAB9A
SCHEMBL8592557 0.82 ACACB (0.59) NOTUMSIRT2CYP1A2NPC1RAB9A
SCHEMBL31049642 0.82 NOTUM (0.70) NOTUMSIRT2CYP1A2NPC1RAB9A

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 10 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
US-11970470-B1 {5-chloro-2-(2-(3-(substitutedphenyl)-1,2,4-oxadiazol-5-yl)ethyl)phenyl}(phenyl)methanones as larvicidal agents King Faisal University (SA) 2024-04-30 US disclosed
CN-116731003-A N-phenylimine-containing derivative, and preparation method and application thereof 贵州大学 2023-09-12 CN disclosed
US-20230265061-A1 OXADIAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-08-24 US disclosed
US-11718592-B2 Oxadiazole derivative Sumitomo Pharma Co., Ltd. (JP) 2023-08-08 US 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 (4 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 NOTUM 443/4885SIRT2 358/4885CYP1A2 95/4885
US-11718592-B2 Oxadiazole derivative OXA1L, SCN1A, CACNA1A NOTUM 3472/4885SIRT2 291/4885CYP1A2 43/4885
US-11970470-B1 {5-chloro-2-(2-(3-(substitutedphenyl)-1,2,4-oxadiazol-5-yl)ethyl)phenyl}(phenyl)methanones as larvicidal agents CASP3, CASP2, CASP7 NOTUM 1319/4885SIRT2 2822/4885CYP1A2 57/4885
US-20230265061-A1 OXADIAZOLE DERIVATIVE OXA1L, SCN1A, CACNA1A NOTUM 3472/4885SIRT2 291/4885CYP1A2 43/4885

“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.