Sugi Predict

Sugi Predict / Compounds / SCHEMBL838360

SCHEMBL838360

SCHEMBL838360

N=C(NO)C1(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 5/20 0.52
▸ HDAC9 Q9UKV0 2/20 0.46
▸ HDAC1 Q13547 5/20 0.45
▸ AKR1C1 Q04828 1/20 0.44
▸ HSD11B1 P28845 2/20 0.42
▸ THRB P10828 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ELOVL1 Q9BW60 1/20 0.36

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
SCHEMBL835097 0.92 HDAC4 (0.62) HDAC4HDAC9HDAC1AKR1C1SMN1; SMN2
SCHEMBL31564890 0.86 HDAC4 (0.47) HDAC4HDAC9HDAC1AKR1C1HSD11B1
SCHEMBL23588276 0.82 HDAC1 (0.41) HDAC4HDAC9HDAC1
SCHEMBL18603143 0.80 HDAC4 (0.54) HDAC4HDAC1HSD11B1SMN1; SMN2HTT
SCHEMBL4590907 0.80 HDAC1 (0.42) HDAC4HDAC1HSD11B1
SCHEMBL23588091 0.80 HDAC4 (0.35) HDAC4HDAC1
SCHEMBL18603165 0.78 HDAC3 (0.42) HDAC4HDAC1HSD11B1
SCHEMBL23588199 0.76 THRB (0.47) HDAC1AKR1C1THRB
SCHEMBL23588194 0.76 KDM1A (0.40) HDAC4
SCHEMBL10529145 0.75 HDAC4 (0.37) HDAC4HDAC9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437105-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-05-06 — — CN disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 — — CN disclosed
US-10562869-B2 Oxadiazole compounds REMYND NV (BE) 2020-02-18 — — US disclosed
US-20170073319-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2017-03-16 — — US disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 — — US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 — — 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 (5 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-10562869-B2 Oxadiazole compounds OXA1L, PSEN1, MAPT HDAC4 3800/4885HDAC9 4371/4885HDAC1 2153/4885
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 HDAC4 4425/4885HDAC9 3454/4885HDAC1 4162/4885
US-20170073319-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT HDAC4 3800/4885HDAC9 4371/4885HDAC1 2153/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH HDAC4 4361/4885HDAC9 3665/4885HDAC1 4403/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 HDAC4 4423/4885HDAC9 3406/4885HDAC1 4170/4885

“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.