Sugi Predict

Sugi Predict / Compounds / SCHEMBL987696

SCHEMBL987696

SCHEMBL987696

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.77
▸ KMT2A Q03164 8/20 0.77
▸ MEN1 O00255 7/20 0.77
▸ ALDH1A1 P00352 7/20 0.77
▸ KDM4E B2RXH2 6/20 0.77
▸ NPSR1 Q6W5P4 4/20 0.77
▸ LMNA P02545 3/20 0.77
▸ POLB P06746 1/20 0.77
▸ THRB P10828 2/20 0.65
▸ CISD1 Q9NZ45 1/20 0.65
▸ EGFR P00533 5/20 0.63
▸ CYP1A2 P05177 3/20 0.57
▸ 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
▸ 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) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL17466936 0.81 MAPT (0.85) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9446456 0.80 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9446459 0.80 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL1238796 0.79 MEN1 (1.00) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL28668178 0.78 MAPT (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11761830 0.78 GABRA1 (0.58) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11761824 0.78 GABRA1 (0.58) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL20824922 0.78 KMT2A (0.80) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9591757 0.77 MAPT (0.77) MAPTKMT2AMEN1ALDH1A1KDM4E

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 123 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-20060085922-A1 Oxidizing composition comprising at least one electrophilic monomer and at least one non-benzoquinone oxidant L'OREAL S.A. (FR) 2006-04-27 — — US claimed
EP-1649895-A2 Oxidizing composition comprising at least one electrophilic monomer and an oxidant with exception of benzoquinone L'OREAL (FR) 2006-04-26 — — EP claimed
CN-117683009-A Polysubstituted 4H-pyran derivative and preparation method thereof 郑州铁路职业技术学院 2024-03-12 — — CN disclosed
CN-116715857-A Preparation method and application of copper-based coordination polymer with inert C-H bond activating function 大连理工大学 2023-09-08 — — CN disclosed
CN-114177942-B Catalyst for condensation reaction of aldehyde and malononitrile Knoevenagel and preparation method thereof 兰州大学 2023-05-12 — — CN disclosed
CN-113135856-B 3-trifluoromethyl-5-cyanopyrazole compounds and preparation method thereof 天津大学 2022-10-11 — — CN disclosed
CN-113058653-B Catalyst for Knoevenagel condensation reaction of aldehyde and malononitrile and preparation method thereof 兰州大学 2022-09-16 — — CN disclosed
CN-112696990-B Anti-back-throwing tear bomb 浙江警察学院 2022-08-30 — — CN 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
EP-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 — — EP disclosed
EP-1476435-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 — — EP disclosed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 — — WO disclosed
CN-1523958-A Pesticide compositions comprising malononitrile compounds ס�ѻ�ѧ��ҵ��ʽ���� 2004-08-25 — — CN disclosed
US-20040143007-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 — — US disclosed
US-20040142821-A1 Pesticide composition comprising malononitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 — — US disclosed
US-20040138065-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 — — US disclosed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 — — US disclosed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 — — 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 (5 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-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 MAPT 4559/4885KMT2A 3893/4885MEN1 3734/4885
US-20040143007-A1 Malononitrile compounds and their use as pesticides MAL2, ME1, CBR3 MAPT 4273/4885KMT2A 3236/4885MEN1 1102/4885
US-20060085922-A1 Oxidizing composition comprising at least one electrophilic monomer and at least one non-benzoquinone oxidant KRT18, GPX4, NOX4 MAPT 2098/4885KMT2A 1188/4885MEN1 4390/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 MAPT 4612/4885KMT2A 2762/4885MEN1 975/4885
US-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 MAPT 4249/4885KMT2A 3427/4885MEN1 1142/4885

“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.