SCHEMBL3408218

SCHEMBL3408218

NC=CCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HRH1 P35367 2/20 0.40
MAOB P27338 1/20 0.40
CYP11B1 P15538 3/20 0.39
CYP17A1 P05093 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B2 P19099 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9285426 0.84 MAOB (0.48) CYP3A4ALDH1A1MAOBTSHRSMN1; SMN2
SCHEMBL151828 0.83 LOXL2 (0.48) LOXL2CYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL6609419 0.79
SCHEMBL16992896 0.78 CYP3A4 (0.46) LOXL2CYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL7349692 0.78 CYP3A4 (0.46) LOXL2CYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL7449249 0.78 CYP3A4 (0.46) LOXL2CYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL6014431 0.77 MAOB (0.70) LOXL2MAOBTSHRMAPK1SMN1; SMN2
SCHEMBL370890 0.77 MAOB (0.70) LOXL2MAOBTSHRMAPK1SMN1; SMN2
SCHEMBL12655770 0.77 MAOB (0.70) LOXL2MAOBTSHRMAPK1SMN1; SMN2
SCHEMBL18662465 0.76 CYP1A2 (0.44) LOXL2CYP3A4CYP2D6ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2127650-B1 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS INC (US) 2018-12-05 EP disclosed
US-8557979-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2013-10-15 US disclosed
US-20120296084-A1 Carbapenem Antibacterials with Gram-Negative Activity and Processes for Their Preparation FOB SYNTHESIS, INC. (US) 2012-11-22 US disclosed
US-8232268-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2012-07-31 US disclosed
US-20100160284-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC., (US) 2010-06-24 US disclosed
US-7683049-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2010-03-23 US disclosed
EP-2127650-A2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB Synthesis, Inc. (US) 2009-12-02 EP disclosed
EP-1765326-A4 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS INC (US) 2009-05-13 EP disclosed
EP-1765326-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2007-03-28 EP disclosed
US-20060069081-A1 Carbapenem antibacterials with gram-negative activity and processes for their preparation CHOI, WOO-BAEG, DR. 2006-03-30 US disclosed
EP-1105736-B1 ELECTROCHEMICAL AFFINITY ASSAY THERASENSE INC (US) 2002-06-05 EP disclosed
US-20020001799-A1 RAPID AMPEROMETRIC VERIFICATION OF PCR AMPLIFICATION OF DNA NATIONAL SCIENCE FOUNDATION 2002-01-03 US disclosed
US-6281006-B1 DETECTING PROTEINS AND NUCLEIC ACIDS; ELECTRODE COATED WITH REDOX POLYMER; BIOCHEMICAL IMMOBILIZATION THERASENSE, INC. 2001-08-28 US disclosed
EP-1108063-A1 RAPID AMPEROMETRIC VERIFICATION OF PCR AMPLIFICATION OF DNA E. HELLER & COMPANY (US) 2001-06-20 EP disclosed
EP-1105736-A1 ELECTROCHEMICAL AFFINITY ASSAY Therasense, Inc. (US) 2001-06-13 EP disclosed
EP-1090286-A1 MULTI-SENSOR ARRAY FOR ELECTROCHEMICAL RECOGNITION OF NUCLEOTIDE SEQUENCES AND METHODS Therasense, Inc. (US) 2001-04-11 EP disclosed
WO-1999067628-A9 MULTI-SENSOR ARRAY FOR ELECTROCHEMICAL RECOGNITION OF NUCLEOTIDE SEQUENCES AND METHODS HELLER E & CO (US) 2000-04-06 WO disclosed
WO-2000011224-A1 RAPID AMPEROMETRIC VERIFICATION OF PCR AMPLIFICATION OF DNA E. HELLER & COMPANY (US) 2000-03-02 WO disclosed
WO-2000011474-A1 ELECTROCHEMICAL AFFINITY ASSAY THERASENSE, INC. (US) 2000-03-02 WO disclosed
WO-1999067628-A1 MULTI-SENSOR ARRAY FOR ELECTROCHEMICAL RECOGNITION OF NUCLEOTIDE SEQUENCES AND METHODS THERASENSE, INC. (US) 1999-12-29 WO 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-20120296084-A1 Carbapenem Antibacterials with Gram-Negative Activity and Processes for Their Preparation MGAM, GSK3B, GSK3A LOXL2 4271/4885CYP3A4 1358/4885CYP2D6 1423/4885
US-20060069081-A1 Carbapenem antibacterials with gram-negative activity and processes for their preparation MGAM, GSK3B, GSK3A LOXL2 4271/4885CYP3A4 1358/4885CYP2D6 1423/4885
US-20100160284-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION MGAM, GSK3B, GSK3A LOXL2 4271/4885CYP3A4 1358/4885CYP2D6 1423/4885

“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.