Sugi Predict

Sugi Predict / Compounds / SCHEMBL177626

SCHEMBL177626

SCHEMBL177626

COc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 1/20 0.66
▸ APP P05067 1/20 0.64
▸ ALDH1A1 P00352 5/20 0.57
▸ LMNA P02545 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MYOC Q99972 1/20 0.56
▸ KCNJ1 P48048 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ HTT P42858 1/20 0.54
▸ SRD5A2 P31213 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ MAOA P21397 1/20 0.54

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
SCHEMBL20328414 0.94 APP (0.70) HSPB1APPALDH1A1LMNAPOLB
SCHEMBL20328415 0.94 APP (0.70) HSPB1APPALDH1A1LMNAPOLB
SCHEMBL492221 0.94 APP (0.70) HSPB1APPALDH1A1LMNAPOLB
SCHEMBL27548370 0.91 APP (0.68) HSPB1APPALDH1A1LMNAPOLB
SCHEMBL28853641 0.91 APP (0.68) HSPB1APPALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL15269629 0.91 APP (0.68) HSPB1APPALDH1A1LMNAPOLB
Ethane SCHEMBL10589507 0.91 APP (0.68) HSPB1APPALDH1A1LMNAPOLB
SCHEMBL31096483 0.91 APP (0.68) HSPB1APPALDH1A1LMNAPOLB
SCHEMBL23906962 0.90 MEN1 (0.63) HSPB1APPALDH1A1LMNAPOLB
Nitromethane SCHEMBL11691874 0.89 APP (0.66) HSPB1APPALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180050906-A1 RUTHENIUM ON CHITOSAN (ChRu): CONCERTED CATALYSIS FOR WATER SPLITTING AND REDUCTION U.S. ENVIRONMENTAL PROTECTION AGENCY 2018-02-22 — — US disclosed
CN-104193699-B A kind of micromolecular compound and synthetic method and application TECHNODERMA MEDICINES Pte. Ltd. (CN) 2016-05-25 — — CN disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 — — US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 — — US disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 — — US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 — — US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 — — US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 — — US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 — — US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 — — US disclosed
EP-0810864-A1 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY Merck & Co., Inc. (US) 1997-12-10 — — EP disclosed
US-5670504-A 2,6-diaryl pyridazinones with immunosuppressant activity MERCK & CO. INC. (US) 1997-09-23 — — US disclosed
WO-1996025936-A1 2,6-DIARYL PYRIDAZINONES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1996-08-29 — — WO disclosed
US-5391571-A Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-02-21 — — US disclosed
EP-0303415-B1 Herbicidally active phenoxy-alkanecarboxylic acid derivatives SUNTORY LTD (JP) 1994-11-30 — — EP disclosed
US-5205855-A Postemergence, preemergence herbicides SUNTORY LIMITED (JP) 1993-04-27 — — US disclosed
EP-0428385-A1 Cholesterol ester hydrolase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-22 — — EP disclosed
US-4976773-A SELECTIVITY BETWEEN MONOCOYLEDON PLANTS SUNTORY LIMITED (JP) 1990-12-11 — — US disclosed
EP-0303415-A2 Herbicidally active phenoxy-alkanecarboxylic acid derivatives SUNTORY LIMITED (JP) 1989-02-15 — — EP disclosed
US-4287372-A Preparation of nitro-substituted diphenyl ethers UOP INC. (US) 1981-09-01 — — 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 (4 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 HSPB1 1253/4885APP 2437/4885ALDH1A1 1451/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 HSPB1 1609/4885APP 2176/4885ALDH1A1 1875/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF HSPB1 1526/4885APP 4789/4885ALDH1A1 2759/4885
US-20180050906-A1 RUTHENIUM ON CHITOSAN (ChRu): CONCERTED CATALYSIS FOR WATER SPLITTING AND REDUCTION WRN, MRE11, KYNU HSPB1 3770/4885APP 3800/4885ALDH1A1 4517/4885

“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.