SCHEMBL3469060

SCHEMBL3469060

COc1ccc(C(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.63
MAPT P10636 4/20 0.59
RAB9A P51151 3/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.59
HPGD P15428 2/20 0.59
RXFP1 Q9HBX9 2/20 0.59
MAPK1 P28482 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
CNR1 P21554 1/20 0.58
CASP1 P29466 1/20 0.58
CNR2 P34972 1/20 0.58
CASP7 P55210 1/20 0.58
ALDH1A1 P00352 2/20 0.56
PARP10 Q53GL7 2/20 0.54
PARP2 Q9UGN5 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
SCHEMBL28569301 0.86 PARP10 (0.75) VNN1MAPTKMT2ANPSR1SMN1; SMN2
SCHEMBL8074450 0.84 CYP1A2 (0.58) VNN1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL12362581 0.84 CYP1A2 (0.58) VNN1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL8074037 0.84 CYP1A2 (0.58) VNN1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL30757515 0.84 MAOB (0.61) MAPTMEN1KMT2AHPGDNPSR1
SCHEMBL103904 0.84 MAOB (0.61) MAPTMEN1KMT2AHPGDNPSR1
1,4-Dimethoxybenzene SCHEMBL28617696 0.84 MAOB (0.61) MAPTMEN1KMT2AHPGDNPSR1
SCHEMBL51509 0.84 RXFP1 (0.79) MAPTRAB9AMEN1LMNAKMT2A
SCHEMBL9418310 0.84 RXFP1 (0.79) MAPTRAB9AMEN1LMNAKMT2A
SCHEMBL3433075 0.84 CA2 (0.67) VNN1MAPTRAB9ALMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003280-B Photochemical synthesis method of aryl formamide compound 合肥工业大学 2024-11-19 CN claimed
CN-116217415-B Method for synthesizing chiral 3-amino-1-phenylpropanol and chiral 3- (methylamino) -1-phenylpropanol 武汉大学 2024-06-18 CN claimed
CN-116217415-A Method for synthesizing chiral 3-amino-1-phenylpropanol and chiral 3- (methylamino) -1-phenylpropanol 武汉大学 2023-06-06 CN claimed
CN-118851893-A New synthetic method of diaryl ketone derivative 河南大学 2024-10-29 CN disclosed
CN-116178312-B Synthesis method of chiral cyclic ether 武汉大学 2024-06-25 CN disclosed
CN-116217415-B Method for synthesizing chiral 3-amino-1-phenylpropanol and chiral 3- (methylamino) -1-phenylpropanol 武汉大学 2024-06-18 CN disclosed
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
CN-115477575-B Synthesis method of diaryl ketone 中南大学 2023-10-13 CN disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO disclosed
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-4208425-A VIRICIDES STERLING DRUG INC. (US) 1980-06-17 US disclosed
US-4171371-A Diketones STERLING DRUG INC. (US) 1979-10-16 US disclosed
US-4153719-A Aromatic diketones STERLING DRUG INC. (US) 1979-05-08 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 (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-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 VNN1 3579/4885MAPT 64/4885RAB9A 704/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 VNN1 2876/4885MAPT 4527/4885RAB9A 2321/4885

“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.