SCHEMBL1900976

SCHEMBL1900976

COc1c(C(N)=O)cc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MITF O75030 1/20 0.45
CCR6 P51684 1/20 0.45
TDP1 Q9NUW8 3/20 0.43
TPMT P51580 1/20 0.43
TSHR P16473 1/20 0.43
GPR35 Q9HC97 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL689245 0.87 TPMT (0.51) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL12669724 0.86 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL1303020 0.86 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL16106219 0.85 CTSD (0.44) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL10320808 0.84 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL688617 0.83 HPGD (0.44) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL690623 0.83 RARG (0.41) ALDH1A1MAPTHTTSMN1; SMN2TSHR
SCHEMBL689862 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL14155437 0.80 POLB (0.43) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL16106449 0.80 KMT2A (0.49) ALDH1A1MAPTLMNAHTTNPSR1

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
EP-3394059-B1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARM SPA (IT) 2020-11-25 EP disclosed
WO-2011063076-A1 METHODS OF TREATING HEPATITIS C VIRUS WITH OXOACETAMIDE COMPOUNDS ITHERX PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
WO-2011063076-A1 METHODS OF TREATING HEPATITIS C VIRUS WITH OXOACETAMIDE COMPOUNDS ITHERX PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
US-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds BRS - TUSTIN SAFEGUARD ASSOCIATES II, LLC 2011-05-19 US disclosed
US-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds BRS - TUSTIN SAFEGUARD ASSOCIATES II, LLC 2011-05-19 US disclosed
US-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds BRS - TUSTIN SAFEGUARD ASSOCIATES II, LLC 2011-05-19 US disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 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-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds OAT, HAVCR2, OTC ALDH1A1 1477/4885MAPT 4423/4885LMNA 2000/4885

“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.