SCHEMBL10399050

SCHEMBL10399050

CC(C#N)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.57
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
ATM Q13315 1/20 0.44
MMP9 P14780 1/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
AOC3 Q16853 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2A6 P11509 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL17455440 1.00 UGT2B7 (0.57) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL26462904 0.82 CYP1A2 (0.50) UGT2B7CYP1A2CYP2A6TDP1
SCHEMBL26462903 0.82 CYP1A2 (0.50) UGT2B7CYP1A2CYP2A6TDP1
SCHEMBL9428117 0.81 ESR1 (0.46) UGT2B7MEN1KMT2ACYP1A2TSHR
SCHEMBL5231024 0.81 UGT2B7 (0.53) UGT2B7MEN1KMT2ACYP1A2CYP2D6
Water SCHEMBL9839828 0.81 UGT2B7 (0.68) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL11725128 0.80 AKR1B1 (0.61) UGT2B7KMT2ACYP1A2HIF1ACA1
SCHEMBL1663204 0.80 UGT2B7 (0.57) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1611816 0.80 UGT2B7 (0.57) UGT2B7MEN1KMT2ACYP1A2CYP2D6
SCHEMBL23255695 0.79 ABCB11 (0.56) CYP1A2TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383838-B1 PROCESS FOR THE CATALYTIC REVERSIBLE UNSATURATED HYDROCARBON-NITRILE INTERCONVERSION STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2023-10-25 EP disclosed
US-10597356-B2 Process for the catalytic reversible alkene-nitrile interconversion STUDIENGESELLSCHAFT KOHLE MBH (DE) 2020-03-24 US disclosed
US-20190031602-A1 PROCESS FOR THE CATALYTIC REVERSIBLE ALKENE-NITRILE INTERCONVERSION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2019-01-31 US disclosed
US-9944618-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-04-17 US disclosed
WO-2017093149-A1 Process for the Catalytic Reversible Alkene-Nitrile Interconversion STUDIENGESELLSCHAFT KOHLE MBH (DE) 2017-06-08 WO disclosed
EP-3176151-A1 PROCESS FOR THE CATALYTIC REVERSIBLE ALKENE-NITRILE INTERCONVERSION Studiengesellschaft Kohle mbH (DE) 2017-06-07 EP disclosed
US-20160024044-A1 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2016-01-28 US disclosed
WO-2014159251-A2 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-10-02 WO disclosed
US-7582764-B2 Asymmetric carbon-carbon-bond-forming reactions catalyzed by bifunctional cinchona alkaloids BRANDEIS UNIVERSITY (US) 2009-09-01 US disclosed
US-20070083049-A1 Asymmetric carbon-carbon-bond-forming reactions catalyzed by bifunctional cinchona alkaloids BRANDEIS UNIVERSITY (US) 2007-04-12 US disclosed
EP-0393940-A1 Substituted and unsubstituted naphthalenyl-3H-1,2,3,5-oxthiadiazole 2-oxides AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-24 EP disclosed
US-4910019-A Oxathiadiazole growth promoters AMERICAN HOME PRODUCTS CORPORATION (US) 1990-03-20 US disclosed
US-4895861-A Novel naphthalenyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-23 US disclosed
US-4833059-A LATENT IMAGES KABUSHIKI KAISHA TOSHIBA (JP) 1989-05-23 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-20070083049-A1 Asymmetric carbon-carbon-bond-forming reactions catalyzed by bifunctional cinchona alkaloids ATIC, CBR3, IDH1 UGT2B7 157/4885MEN1 3712/4885KMT2A 2237/4885
US-20190031602-A1 PROCESS FOR THE CATALYTIC REVERSIBLE ALKENE-NITRILE INTERCONVERSION HCN2, HCN1, HCN4 UGT2B7 943/4885MEN1 1380/4885KMT2A 1758/4885
US-10597356-B2 Process for the catalytic reversible alkene-nitrile interconversion HCN2, HCN1, HCN4 UGT2B7 943/4885MEN1 1380/4885KMT2A 1758/4885
US-20160024044-A1 INHIBITING NEUROTRANSMITTER REUPTAKE SLC6A2, SLC18A2, SLC6A4 UGT2B7 2417/4885MEN1 880/4885KMT2A 3756/4885

“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.