SCHEMBL625612

SCHEMBL625612

Cc1cccc(CC#N)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.53
TAAR1 Q96RJ0 2/20 0.50
MMP3 P08254 1/20 0.50
IDO1 P14902 2/20 0.48
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACHE P22303 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 1/20 0.41
CTSB P07858 1/20 0.40

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
SCHEMBL2977626 0.92 ENPP2 (0.47) ENPP2TAAR1MMP3IDO1KDM4E
SCHEMBL8992963 0.87 LTA4H (0.46) ENPP2TAAR1MMP3IDO1KDM4E
SCHEMBL237972 0.84 ENPP2 (0.63) ENPP2MMP3KDM4ETDP1MEN1
SCHEMBL8992798 0.83 ENPP2 (0.41) ENPP2TAAR1MMP3IDO1KDM4E
Benzene SCHEMBL5438521 0.81 ENPP2 (0.61) ENPP2MMP3KDM4ETDP1MEN1
SCHEMBL8591999 0.80 MAOB (0.59) IDO1ACHEMAOB
SCHEMBL6557766 0.79 MEN1 (0.73) TAAR1IDO1KDM4EACHEMEN1
SCHEMBL8338095 0.79 MMP3 (0.70) ENPP2MMP3KDM4ETDP1CTSB
SCHEMBL13525281 0.79 MMP3 (0.56) MMP3KDM4ETDP1LMNA
SCHEMBL7196848 0.78 ENPP2 (0.53) ENPP2MMP3KDM4ETDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114394-B1 PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS INC (US) 2012-08-15 EP claimed
EP-2114394-A1 PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS, INC. (US) 2009-11-11 EP claimed
WO-2008100301-A1 PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-20080194680-A1 Platinum analogs with bis-nitrile-containing ligands BIONUMERIK PHARMACEUTICALS, INC. 2008-08-14 US claimed
US-20250154115-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-05-15 US disclosed
CN-116425655-B Synthesis method of triaryl acrylonitrile 温州大学新材料与产业技术研究院 2025-03-11 CN disclosed
CN-115724891-B Mn-L manganese complex and preparation method and application thereof 浙江工业大学 2025-03-04 CN disclosed
CN-116854668-B Phthalazinone compound, pharmaceutical composition and application thereof 中国药科大学 2025-02-07 CN disclosed
CN-119137106-A Arylbenzisoxazole compounds as IP6K and IPMK inhibitors and methods of use thereof 北卡罗来纳查佩尔山大学 2024-12-13 CN disclosed
EP-4472954-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF The University of North Carolina at Chapel Hill (US) 2024-12-11 EP disclosed
US-20240390301-A1 COMBINATIONS OF PERIPHERAL 5-HT2A RECEPTOR ANTAGONISTS AND CENTRAL 5-HT2A RECEPTOR AGONISTS GILGAMESH PHARMACEUTICALS, INC. (US) 2024-11-28 US disclosed
CN-118666758-A Anti-melanoma benzyl pyrimidine compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 CN disclosed
EP-0065447-A1 Fluor-containing silica catalysts; their preparation, and their use in the preparation of nitriles RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-11-24 EP disclosed
US-4356302-A ANOREXIGENIC AGENTS G. D. SEARLE & CO. (US) 1982-10-26 US disclosed
US-4260759-A CONDENSATION OF NITRILES SCHERING-CORPORATION (US) 1981-04-07 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4115395-A FUNGICIDES, BACTERICIDES SCHERING CORPORATION (US) 1978-09-19 US disclosed
US-4107166-A ANTIFUNGAL, ANTIBACTERIAL SCHERING CORPORATION (US) 1978-08-15 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed
US-4017500-A FUNGICIDES, BACTERICIDES SCHERING CORPORATION (US) 1977-04-12 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 (3 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-20240390301-A1 COMBINATIONS OF PERIPHERAL 5-HT2A RECEPTOR ANTAGONISTS AND CENTRAL 5-HT2A RECEPTOR AGONISTS HTR2A, HTR2C, HTR5A ENPP2 285/4885TAAR1 77/4885MMP3 4390/4885
US-20080194680-A1 Platinum analogs with bis-nitrile-containing ligands PCNA, LIG4, TOP2B ENPP2 4277/4885TAAR1 1109/4885MMP3 4782/4885
US-20250154115-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK INHIBITORS AND METHODS OF USE THEREOF PFKL, IP6K2, IP6K1 ENPP2 1678/4885TAAR1 4719/4885MMP3 3712/4885

“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.