SCHEMBL3640941

SCHEMBL3640941

O=c1c2cc(Cl)ccc2ncn1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PARP1 P09874 1/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA6 Q16445 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NLRP3 Q96P20 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3755039 0.79 PARP1 (0.51) KDM4EHTTLMNAL3MBTL1MEN1
SCHEMBL9919058 0.79 L3MBTL1 (0.59) KDM4EL3MBTL1MEN1KMT2APARP1
SCHEMBL3723803 0.79 SCD (0.54) KMT2APARP1RAB9ASCD
SCHEMBL24754380 0.76 PARP1 (0.44) KDM4EHTTLMNAL3MBTL1MEN1
SCHEMBL24754381 0.76 DDR1 (0.54) KMT2APARP1RAB9ASCD
SCHEMBL258690 0.74 KDM4E (0.54) KDM4EHTTMEN1KMT2AALDH1A1
SCHEMBL11397210 0.73 KDM4E (0.42) KDM4EHTTLMNAL3MBTL1MEN1
SCHEMBL11086450 0.73 KDM4E (0.42) KDM4EHTTLMNAL3MBTL1MEN1
SCHEMBL30553041 0.73 MAPT (0.47) KMT2AMAPTALDH1A1RAB9ASCD
SCHEMBL6258585 0.72 KDM4E (0.50) KDM4EHTTLMNAL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784522-B Proton acceptor iminium/carbocationic coupling agents LUXEMBOURG BIOTECHNOLOGIES LTD 2014-05-28 CN disclosed
US-8524898-B2 Proton acceptor iminium/carbocation-type coupling agents LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2013-09-03 US disclosed
US-8524898-B2 Proton acceptor iminium/carbocation-type coupling agents LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2013-09-03 US disclosed
CN-101784522-A Proton acceptor iminium/carbocationic coupling agents LUXEMBOURG BIOTECHNOLOGIES LTD 2010-07-21 CN disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
EP-2170822-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS Luxembourg Bio Technologies Ltd. (IL) 2010-04-07 EP disclosed
WO-2009138985-A2 COUPLING AGENTS FOR THE SYNTHESIS OF POLYPEPTIDES AND POLYNUCLEOTIDES LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2009-11-19 WO disclosed
WO-2009138985-A2 COUPLING AGENTS FOR THE SYNTHESIS OF POLYPEPTIDES AND POLYNUCLEOTIDES LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2009-11-19 WO disclosed
WO-2008139481-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2008-11-20 WO disclosed
WO-2008139481-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2008-11-20 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 (1 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-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS PHAX, GIPR, IAPP KDM4E 4871/4885HTT 464/4885LMNA 2771/4885

“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.