SCHEMBL2342936

SCHEMBL2342936

O=C(CI)N1CCN(C(=O)c2c3oc4ccccc4nc-3ccc2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 6/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.38
NAAA Q02083 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FASN P49327 1/20 0.37
PARP1 P09874 1/20 0.36
HTR2B P41595 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL9051488 0.82 LMNA (0.49) ALDH1A1GAAHTTLMNATSHR
SCHEMBL2185384 0.78 LMNA (0.46) ALDH1A1LMNAPOLBTSHRMAPT
Trifluoroacetic Acid SCHEMBL9295868 0.78 ATR (0.39) KMT2AHTTLMNASMN1; SMN2HTR2B
SCHEMBL1513840 0.75 MEN1 (0.43) ALDH1A1GAAKMT2AHPGDMEN1
SCHEMBL3496983 0.75 LMNA (0.40) ALDH1A1GAAHTTLMNAPOLB
SCHEMBL2289311 0.73 LMNA (0.39) ALDH1A1KMT2AMEN1LMNAPOLB
Phosphoric Acid SCHEMBL1513833 0.71 RAB9A (0.42) ALDH1A1GAAKMT2AHPGDMEN1
SCHEMBL9296185 0.69 PIN1 (0.37) ALDH1A1GAAKMT2AHPGDMEN1
SCHEMBL25280719 0.68 MAPT (0.47) ALDH1A1GAAKMT2AHPGDMEN1
SCHEMBL9295725 0.66 KMT2A (0.32) ALDH1A1GAAKMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071761-B2 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-06 US disclosed
EP-1405922-B1 Substrates for beta-lactamase and uses thereof UNIV CALIFORNIA (US) 2011-08-24 EP disclosed
US-20070184513-A1 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-09 US disclosed
US-7157575-B2 Substrates for β-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-02 US disclosed
EP-1405922-A2 Substrates for beta-lactamase and uses thereof The Regents of the University of California (US) 2004-04-07 EP disclosed
EP-0982398-B1 Nucleic acids and uses thereof for the assay of beta-lactamase UNIV CALIFORNIA (US) 2003-11-05 EP disclosed
US-20030119085-A1 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-26 US disclosed
US-6472205-B1 EXPRESSION CONTROL SEQUENCES ADAPTED FOR FUNCTION IN EUKARYOTIC CELL, OPERABLY LINKED TO SEQUENCE CODING CYTOSOLIC BETA-LACTAMASE; SCREENING BY CONTACTING HOST CELL WITH MEMBRANE PERMEABLE, FLUORESCENT SUBSTRATE OF BETA-LACTAMASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-10-29 US disclosed
US-6291162-B1 DETERMINING AMOUNT OF LACTAMASE ACTIVITY; TRANSFECTING CELLS WITH A NUCLEIC ACID HAVING AN EXPRESSION CONTROL SEQUENCE LINKED TO A SECRETION DEFECTIVE SEQUENCE; MIXING CELLS WITH LACTAMASE SUBSTRATE; DETERMINE AMOUNT OF CLEAVED SUBSTRATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-09-18 US disclosed
EP-0817785-B1 SUBSTRATES FOR BETA-LACTAMASE AND USES THEREOF UNIV CALIFORNIA (US) 2001-04-04 EP disclosed
EP-0982398-A1 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-03-01 EP disclosed
US-5955604-A Substrates for β-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-21 US disclosed
US-5741657-A MEASURING GENE EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-21 US disclosed
EP-0817785-A2 SUBSTRATES FOR BETA-LACTAMASE AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-01-14 EP disclosed
WO-1996030540-A2 SUBSTRATES FOR BETA-LACTAMASE AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-10-03 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 (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-20030119085-A1 Substrates for beta-lactamase and uses thereof CMBL, GLB1, BBOX1 ALDH1A1 1448/4885GAA 196/4885KMT2A 1345/4885
US-20070184513-A1 Substrates for beta-lactamase and uses thereof CMBL, DBH, NCEH1 ALDH1A1 1941/4885GAA 153/4885KMT2A 1021/4885

“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.