SCHEMBL4007007

SCHEMBL4007007

N#CCc1cc(CC#N)cc(CC#N)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ENPP2 Q13822 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MMP3 P08254 1/20 0.40
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CSNK2A1 P68400 2/20 0.31
MAOB P27338 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL5201126 0.86 KDM4E (0.43) KDM4ETDP1ENPP2KMT2AMEN1
SCHEMBL28385333 0.86 KDM4E (0.43) KDM4ETDP1ENPP2KMT2AMEN1
SCHEMBL28387994 0.86 KDM4E (0.43) KDM4ETDP1ENPP2KMT2AMEN1
SCHEMBL18301559 0.86 KDM4E (0.43) KDM4ETDP1ENPP2KMT2AMEN1
SCHEMBL8658115 0.86 KDM4E (0.43) KDM4ETDP1ENPP2KMT2AMEN1
SCHEMBL8657492 0.86 KDM4E (0.43) KDM4ETDP1ENPP2KMT2AMEN1
SCHEMBL208982 0.86 KDM4E (0.43) KDM4ETDP1ENPP2KMT2AMEN1
SCHEMBL8658364 0.86 KDM4E (0.48) KDM4ETDP1ENPP2KMT2AMEN1
SCHEMBL8655473 0.86 KDM4E (0.43) KDM4ETDP1ENPP2KMT2AMEN1
SCHEMBL2262582 0.86 KDM4E (0.43) KDM4ETDP1ENPP2KMT2AMEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117106150-A Novel 2D polymer, lithium-sulfur battery diaphragm and preparation method and application thereof 中山大学 2023-11-24 CN claimed
CN-117106150-A Novel 2D polymer, lithium-sulfur battery diaphragm and preparation method and application thereof 中山大学 2023-11-24 CN disclosed
CN-117106150-A Novel 2D polymer, lithium-sulfur battery diaphragm and preparation method and application thereof 中山大学 2023-11-24 CN disclosed
CN-114478357-B Halogen bond-containing piezochromic aggregation-induced emission molecule 江苏新视界先进功能纤维创新中心有限公司 2022-07-05 CN disclosed
CN-114478357-A Halogen bond-containing piezochromic aggregation-induced emission molecule 江苏新视界先进功能纤维创新中心有限公司 2022-05-13 CN disclosed
CN-113717397-B Preparation method of metal cluster-based crystalline porous material 暨南大学 2022-04-05 CN disclosed
CN-114235777-A Culture-free high-sensitivity Raman detection method for food-borne pathogenic bacteria 陕西科技大学 2022-03-25 CN disclosed
US-9586907-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-07 US disclosed
US-20150246887-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-09-03 US disclosed
US-8859798-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-14 US disclosed
US-8859798-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-14 US disclosed
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-11-26 US disclosed
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-11-26 US disclosed
US-7569694-B2 Coumarin compound, material for light emitting device and organic electroluminescent device CHISSO CORPORATION (JP) 2009-08-04 US disclosed
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed
US-20070176544-A1 Coumarin compound, material for light emitting device and organic electroluminescent device JNC CORPORATION (JP) 2007-08-02 US disclosed
US-20050275341-A1 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2005-12-15 US disclosed
US-4656233-A \"Living\" polymers and chain transfer-regulated polymerization process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-04-07 US disclosed
EP-0186330-A1 \"Living\" polymers and chain transfer-regulated polymerization process E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-02 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 (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-20150246887-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TST, TREH, NFATC1 KDM4E 2319/4885TDP1 3595/4885ENPP2 4411/4885
US-20050275341-A1 Coumarin compound XPO1, VKORC1, XPO5 KDM4E 3068/4885TDP1 3317/4885ENPP2 4840/4885
US-20070176544-A1 Coumarin compound, material for light emitting device and organic electroluminescent device TRPA1, CYP3A4, UGT1A10 KDM4E 2936/4885TDP1 3594/4885ENPP2 4700/4885
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TST, TREH, NFATC1 KDM4E 2319/4885TDP1 3595/4885ENPP2 4411/4885

“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.