SCHEMBL6824611

SCHEMBL6824611

N#CC(C#N)=Cc1ccc(C#N)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.77
▸ ALDH1A1 P00352 9/20 0.77
▸ MEN1 O00255 8/20 0.77
▸ MAPT P10636 7/20 0.77
▸ KDM4E B2RXH2 6/20 0.77
▸ NPSR1 Q6W5P4 3/20 0.77
▸ LMNA P02545 3/20 0.77
▸ POLB P06746 1/20 0.77
▸ THRB P10828 1/20 0.65
▸ CISD1 Q9NZ45 1/20 0.65
▸ EGFR P00533 5/20 0.63
▸ CYP3A4 P08684 3/20 0.57
▸ HPGD P15428 3/20 0.57
▸ TSHR P16473 3/20 0.57
▸ NFKB1 P19838 3/20 0.57
▸ BLM P54132 3/20 0.57
▸ PMP22 Q01453 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.53

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
SCHEMBL17466932 0.88 MAPT (1.00) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL17466941 0.83 MAPT (0.71) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL17466936 0.81 MAPT (0.85) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL16705985 0.79 KMT2A (0.65) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL1238796 0.79 MEN1 (1.00) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL20824922 0.78 KMT2A (0.80) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL20547658 0.77 FBP1 (0.59) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL14198043 0.77 FBP1 (0.59) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL21887201 0.77 MAPT (0.77) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL9591757 0.77 MAPT (0.77) KMT2AALDH1A1MEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717076-B Preparation method for obtaining methane functional product based on iron/light combined catalysis 大连理工大学 2022-08-02 — — CN claimed
US-20240084308-A1 FIBROTIC TREATMENT MONASH UNIVERSITY (AU) 2024-03-14 — — US disclosed
US-11834663-B2 Fibrotic treatment MONASH UNIVERSITY (AU) 2023-12-05 — — US disclosed
US-11834663-B2 Fibrotic treatment MONASH UNIVERSITY (AU) 2023-12-05 — — US disclosed
US-11834663-B2 Fibrotic treatment MONASH UNIVERSITY (AU) 2023-12-05 — — US disclosed
CN-113717076-B Preparation method for obtaining methane functional product based on iron/light combined catalysis 大连理工大学 2022-08-02 — — CN disclosed
CN-114805124-A Synthesis method of benzylidene malononitrile compound 石家庄圣泰化工有限公司 2022-07-29 — — CN disclosed
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 — — EP disclosed
US-11306066-B2 4H-pyran compounds as insulin-regulated aminopeptidase (IRAP) inhibitors MONASH UNIVERSITY (AU) 2022-04-19 — — US disclosed
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 — — US disclosed
WO-2017015720-A1 FIBROTIC TREATMENT MONASH UNIVERSITY (AU) 2017-02-02 — — WO disclosed
WO-2016179645-A1 4H-PYRAN COMPOUNDS AS INSULIN-REGULATED AMINOPEPTIDASE (IRAP) INHIBITORS MONASH UNIVERSITY (AU) 2016-11-17 — — WO disclosed
WO-2016179645-A1 4H-PYRAN COMPOUNDS AS INSULIN-REGULATED AMINOPEPTIDASE (IRAP) INHIBITORS MONASH UNIVERSITY (AU) 2016-11-17 — — WO disclosed
US-9410035-B2 Modified heterophasic polyolefin composition MILLIKEN & COMPANY (US) 2016-08-09 — — US disclosed
US-20160024289-A1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & COMPANY 2016-01-28 — — US disclosed
WO-2013144191-A1 SUBSTITUTED 2-AMINO-3-CYANOPYRIDINES AS INHIBITORS OF SODIUM-CALCIUM EXCHANGE AND USE THEREOF FOR CARDIOVASCULAR DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 — — WO disclosed
US-20040142821-A1 Pesticide composition comprising malononitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 — — US disclosed
EP-1385377-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-02-04 — — EP disclosed
WO-2002089579-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 — — WO disclosed
US-4184871-A A,B-UNSATURATED NITRILE SENSITIZER MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1980-01-22 — — 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-11306066-B2 4H-pyran compounds as insulin-regulated aminopeptidase (IRAP) inhibitors IAPP, ENPEP, DNPEP KMT2A 1612/4885ALDH1A1 2853/4885MEN1 3983/4885
US-11834663-B2 Fibrotic treatment MMP1, ENPEP, RNPEP KMT2A 2797/4885ALDH1A1 1883/4885MEN1 4166/4885
US-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 KMT2A 3427/4885ALDH1A1 867/4885MEN1 1142/4885
US-20240084308-A1 FIBROTIC TREATMENT MMP1, ENPEP, RNPEP KMT2A 2797/4885ALDH1A1 1883/4885MEN1 4166/4885

“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.

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