SCHEMBL6257399

SCHEMBL6257399

C=CCc1cccc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.48
ENPP2 Q13822 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.48
XDH P47989 1/20 0.45
PRMT6 Q96LA8 1/20 0.44
ALDH1A1 P00352 4/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH2 P05091 1/20 0.44
GAA P10253 1/20 0.44
GABRA1 P14867 1/20 0.44
AKR1B1 P15121 1/20 0.44
HPGD P15428 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
GABRB2 P47870 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Bromide SCHEMBL28225213 0.98 PNMT (0.47) PNMTENPP2LOXL2XDHPRMT6
Hydrochloric Acid SCHEMBL20819286 0.98 PNMT (0.47) PNMTENPP2LOXL2XDHPRMT6
SCHEMBL27849795 0.91 ENPP2 (0.46) PNMTENPP2LOXL2XDHPRMT6
SCHEMBL1325860 0.89 XDH (0.54) XDHALDH1A1PPARGPPARDMAPT
Ethylene SCHEMBL28753621 0.86 XDH (0.52) XDHALDH1A1PPARGPPARDMAPT
Water SCHEMBL28099990 0.86 XDH (0.52) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL4453153 0.81 ALDH1A1 (0.52) LOXL2XDHALDH1A1PPARGPPARD
SCHEMBL20391630 0.81 XDH (0.41) LOXL2XDHALDH1A1PPARGPPARD
SCHEMBL36008 0.81 LOXL2 (0.71) PNMTENPP2LOXL2PRMT6ALDH1A1
SCHEMBL10422276 0.81 LOXL2 (0.71) PNMTENPP2LOXL2PRMT6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109972166-A A method of the compound of the synthesis structure of trifluoromethyl containing vinyl 五邑大学 2019-07-05 CN disclosed
WO-2019053617-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-21 WO disclosed
US-6927290-B2 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-08-09 US disclosed
EP-1160236-B1 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL CO (JP) 2005-05-25 EP disclosed
US-20040210059-A1 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-10-21 US disclosed
US-6753431-B2 REACTING A CARBAMATE DERIVATIVE WITH CARBOXYLIC AND HALOFORMIC ACID DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-06-22 US disclosed
WO-2003011115-A2 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS EPIX MEDICAL, INC. (US) 2003-02-13 WO disclosed
US-20020032346-A1 Production of mixed acid anhydride and amide compound SUMITOMO CHEMICAL CO., LTD. 2002-03-14 US disclosed
EP-1160236-A2 Production of mixed acid anhydride and amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-05 EP disclosed
CN-1036993-C Aromatase inhibiting 4(5)-imidazoles FARMOS OY (FI) 1998-01-14 CN disclosed
CN-1033995-A 4 (5)-imidazoles that suppress aromatase enzyme FARMOS OY (FI) 1989-07-19 CN 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 (2 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-20040210059-A1 Production of mixed acid anhydride and amide compound CA2, CA1, CA3 PNMT 3556/4885ENPP2 642/4885LOXL2 2260/4885
US-20020032346-A1 Production of mixed acid anhydride and amide compound CA2, CA1, CA3 PNMT 3556/4885ENPP2 642/4885LOXL2 2260/4885

“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.