Sugi Predict

Sugi Predict / Compounds / SCHEMBL2500291

SCHEMBL2500291

SCHEMBL2500291

O=CN(O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL2496845 0.78 HDAC2 (0.55) NPC1RAB9AHDAC1HDAC2HDAC8
SCHEMBL7405546 0.77 NPC1 (0.48) TSHRALDH1A1NPC1RAB9ACA12
SCHEMBL3249918 0.77 MGLL (0.45) TSHRALDH1A1CA12CA9
SCHEMBL23548022 0.77 NPC1 (0.44) TSHRALDH1A1NPC1RAB9ACA12
SCHEMBL26802 0.76 ALDH1A1 (0.48) TSHRALDH1A1NPC1RAB9ACA12
SCHEMBL28570283 0.76 ALDH1A1 (0.51) TSHRALDH1A1NPC1RAB9ACA12
Hydrochloric Acid SCHEMBL11685888 0.76 NPC1 (0.47) TSHRALDH1A1NPC1RAB9ACA12
SCHEMBL3699983 0.75 MAOB (0.41) TSHRHDAC1HDAC2HDAC8HDAC6
SCHEMBL4773352 0.75 HDAC2 (0.60) HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL12006735 0.74 ALDH1A1 (0.50) TSHRALDH1A1NPC1RAB9ACA12

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422233-B2 Vanilloid fatty hydroxamates as therapeutic anti-inflammatory pharmaceuticals RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-23 — — US claimed
US-20120252891-A1 Vanilloid Fatty Hydroxamates as Therapeutic Anti-inflammatory Pharmaceuticals UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-04 — — US claimed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US claimed
EP-1105415-A1 CHEMICAL SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 — — EP claimed
WO-2000009548-A1 CHEMICAL SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 — — WO claimed
US-9422233-B2 Vanilloid fatty hydroxamates as therapeutic anti-inflammatory pharmaceuticals RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-23 — — US disclosed
US-20120252891-A1 Vanilloid Fatty Hydroxamates as Therapeutic Anti-inflammatory Pharmaceuticals UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-04 — — US disclosed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 — — US disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 — — EP disclosed
US-20090012011-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 — — US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 — — US disclosed
EP-1981596-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-22 — — EP disclosed
EP-1283709-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-02-19 — — EP disclosed
EP-1268401-A1 PROCESS FOR THE SELECTIVE N-FORMYLATION OF N-HYDROXYLAMINES ABBOTT LABORATORIES (US) 2003-01-02 — — EP disclosed
US-6350902-B2 REACTING HYDROXYAMINE WITH A TRIFLUOROFORMATE ESTER ABBOTT LABORATORIES 2002-02-26 — — US disclosed
US-20020002307-A1 Process for the selective N-formylation of N-hydroxylamines ABBOTT LABORATORIES 2002-01-03 — — US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 — — EP disclosed
WO-2001085160-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-15 — — WO disclosed
US-20010031896-A1 Process for the selective N-formylation of N-hydroxylamines ABBOTT LABORATORIES 2001-10-18 — — US disclosed
WO-2001074757-A1 PROCESS FOR THE SELECTIVE N-FORMYLATION OF N-HYDROXYLAMINES ABBOTT LABORATORIES (US) 2001-10-11 — — 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 (6 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-20010031896-A1 Process for the selective N-formylation of N-hydroxylamines HNMT, INMT, PNMT TSHR 2130/4885ALDH1A1 936/4885NPC1 3421/4885
US-20120252891-A1 Vanilloid Fatty Hydroxamates as Therapeutic Anti-inflammatory Pharmaceuticals FAAH, FAAH2, TRPV1 TSHR 4627/4885ALDH1A1 1155/4885NPC1 1616/4885
US-20020002307-A1 Process for the selective N-formylation of N-hydroxylamines HNMT, INMT, PNMT TSHR 2130/4885ALDH1A1 936/4885NPC1 3421/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 TSHR 3471/4885ALDH1A1 366/4885NPC1 615/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 TSHR 140/4885ALDH1A1 2628/4885NPC1 990/4885
US-20090012011-A1 Novel Compounds TRPV4, TRPV1, TRPV3 TSHR 839/4885ALDH1A1 1596/4885NPC1 479/4885

“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.