Sugi Predict

Sugi Predict / Compounds / SCHEMBL5207705

SCHEMBL5207705

SCHEMBL5207705

Cc1cc(O)c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)c(=O)o1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.77
▸ USP2 O75604 3/20 0.77
▸ RECQL P46063 2/20 0.77
▸ POLB P06746 2/20 0.77
▸ NPSR1 Q6W5P4 1/20 0.77
▸ MEN1 O00255 11/20 0.72
▸ KMT2A Q03164 11/20 0.72
▸ RAB9A P51151 4/20 0.69
▸ PKM P14618 3/20 0.69
▸ NPC1 O15118 3/20 0.69
▸ PPARG P37231 2/20 0.68
▸ KDM4E B2RXH2 2/20 0.63
▸ GAA P10253 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ NR3C1 P04150 1/20 0.58
▸ HSPD1 P10809 1/20 0.58
▸ HSPE1 P61604 1/20 0.58
▸ MAOA P21397 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL28493755 1.00 MAPT (0.77) MAPTUSP2RECQLPOLBNPSR1
SCHEMBL5150395 0.86 MEN1 (0.81) MAPTUSP2RECQLPOLBNPSR1
SCHEMBL5150390 0.86 MEN1 (0.81) MAPTUSP2RECQLPOLBNPSR1
SCHEMBL31060192 0.86 MAPT (0.71) MAPTUSP2RECQLPOLBNPSR1
SCHEMBL5815494 0.86 MAPT (0.71) MAPTUSP2RECQLPOLBNPSR1
SCHEMBL5815497 0.86 MAPT (0.71) MAPTUSP2RECQLPOLBNPSR1
SCHEMBL28490585 0.84 MEN1 (0.77) MAPTUSP2RECQLPOLBNPSR1
SCHEMBL28490584 0.84 MEN1 (0.77) MAPTUSP2RECQLPOLBNPSR1
SCHEMBL10618566 0.83 MEN1 (0.76) MAPTUSP2RECQLPOLBNPSR1
SCHEMBL10618560 0.83 MEN1 (0.76) MAPTUSP2RECQLPOLBNPSR1

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-107629041-B Chalcone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-12-04 — — CN disclosed
US-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-06-20 — — US disclosed
US-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-06-20 — — US disclosed
US-8324262-B2 Tricyclic necrostatin compounds THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-12-04 — — US disclosed
US-20100190836-A1 Compounds, Screens, and Methods of Treatment PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-07-29 — — US disclosed
EP-0980867-B1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2007-08-08 — — EP disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 — — US disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 — — EP 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 (2 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-20100190836-A1 Compounds, Screens, and Methods of Treatment NLN, HTRA2, CLN6 MAPT 233/4885USP2 3650/4885RECQL 913/4885
US-20130158024-A1 TRICYCLIC NECROSTATIN COMPOUNDS HTRA2, AIFM1, BAD MAPT 633/4885USP2 3412/4885RECQL 2235/4885

“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.