SCHEMBL2134993

SCHEMBL2134993

N=C(NO)c1ccnc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
IDO1 P14902 1/20 0.40
PREP P48147 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
AR P10275 3/20 0.32
KDM4D Q6B0I6 2/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM6B O15054 1/20 0.31
TET3 O43151 1/20 0.31
KDM4A O75164 1/20 0.31
BBOX1 O75936 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5C P41229 1/20 0.31
ASPH Q12797 1/20 0.31
TET2 Q6N021 1/20 0.31

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
SCHEMBL4394180 0.80 KDM4D (0.31) KDM4DKDM4EKDM6BTET3KDM4A
SCHEMBL31656123 0.78 TAS1R3 (0.39) IDO1PREPKDM4D
SCHEMBL312499 0.78 GABRP (0.53) HDAC1HDAC6PREPCA9KDM4E
SCHEMBL1179121 0.78 UHRF1 (0.48) HDAC1HDAC6KDM4E
SCHEMBL642118 0.78 RECQL (0.41) IDO1PREP
SCHEMBL17063927 0.78 KCNK3 (0.45) HDAC1KDM4EKDM6BALDH1A1KDM5C
SCHEMBL3466541 0.78 IDO1 (0.41) KDM1AHDAC1HDAC6IDO1PREP
SCHEMBL1727249 0.76 CYP1A2 (0.38) KDM4DKDM4EKDM4AKDM5CKDM4C
Hydrochloric Acid SCHEMBL29117351 0.74 HDAC6 (0.61) KDM1AHDAC1HDAC6IDO1PREP
SCHEMBL22396443 0.74 FTO (0.65) KDM4DKDM4EKDM6BTET3KDM4A

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
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2023-01-26 US disclosed
US-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2020-10-29 US disclosed
EP-3720851-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS Oryzon Genomics, S.A. (ES) 2020-10-14 EP disclosed
WO-2019110663-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2019-06-13 WO disclosed
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US 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 (3 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-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 KDM1A 64/4885HDAC1 2/4885HDAC6 1/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 KDM1A 64/4885HDAC1 2/4885HDAC6 1/4885
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 KDM1A 4320/4885HDAC1 2272/4885HDAC6 2489/4885

“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.