SCHEMBL20236124

SCHEMBL20236124

COC(=O)c1ccc(CN(C(=O)N2CCNCC2)c2cccc(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.44
LTB4R2 Q9NPC1 4/20 0.43
OPRD1 P41143 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
OPRM1 P35372 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 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
Hydrochloric Acid SCHEMBL22218352 0.99 NR1H4 (0.43) NR1H4LTB4R2OPRD1CHRM2CHRM1
SCHEMBL16221510 0.89 AR (0.40) NR1H4OPRD1CHRM3MEN1NPC1
SCHEMBL22218494 0.89 LTB4R2 (0.46) NR1H4LTB4R2CHRM2CHRM1CHRM3
SCHEMBL17618020 0.89 RAB9A (0.47) NR1H4OPRD1MEN1NPC1RAB9A
SCHEMBL16211634 0.89 LTB4R2 (0.44) NR1H4LTB4R2CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL16211614 0.88 AR (0.39) NR1H4OPRD1CHRM3MEN1NPC1
SCHEMBL16211288 0.88 HDAC1 (0.50) NR1H4LTB4R2MEN1NPC1RAB9A
SCHEMBL28630192 0.88 LTB4R2 (0.43) NR1H4LTB4R2CHRM2CHRM1CHRM3
SCHEMBL20236537 0.88 LTB4R2 (0.46) NR1H4LTB4R2CHRM2CHRM1CHRM3
SCHEMBL20236138 0.88 BCL2A1 (0.46) NR1H4OPRD1MAPTKMT2AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 US disclosed
EP-3331864-A2 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-06-13 EP 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-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC1, HDAC5, HDAC2 NR1H4 1396/4885LTB4R2 4544/4885OPRD1 3850/4885

“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.