SCHEMBL18795778

SCHEMBL18795778

COc1ccc(Sc2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HDAC4 P56524 11/20 0.50
MAPT P10636 3/20 0.49
NR1H4 Q96RI1 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
S1PR1 P21453 1/20 0.49
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL7296994 0.92 HDAC6 (0.59) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL28860581 0.83 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC4MAPT
SCHEMBL18795908 0.83 HDAC4 (0.56) HDAC6HDAC1HDAC8HDAC4
SCHEMBL20550282 0.83 HDAC6 (0.60) HDAC6HDAC1HDAC8HDAC4
SCHEMBL28659250 0.82 NR1H4 (0.44) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL21175923 0.82 HDAC4 (0.54) HDAC6HDAC1HDAC8HDAC4NR1H4
SCHEMBL18796097 0.82 HDAC4 (0.63) HDAC6HDAC1HDAC8HDAC4
SCHEMBL18795910 0.82 HDAC6 (0.51) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL22530783 0.81 HDAC4 (0.53) HDAC6HDAC1HDAC4
SCHEMBL20550192 0.81 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108347936-B Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2021-04-20 CN disclosed
US-20180319753-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-11-08 US disclosed
EP-3367798-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2018-09-05 EP disclosed
WO-2017072247-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-05-04 WO disclosed
WO-2017072247-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-05-04 WO 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-20180319753-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 HDAC6 610/4885HDAC1 551/4885HDAC8 1766/4885

“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.