SCHEMBL3639865

SCHEMBL3639865

On1c(-c2ccccc2)nc2cc(Cl)ccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.77
NPC1 O15118 3/20 0.77
RAB9A P51151 3/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
CYP1A2 P05177 2/20 0.77
CYP2C9 P11712 2/20 0.77
CYP2C19 P33261 2/20 0.77
GAA P10253 1/20 0.77
KMT2A Q03164 6/20 0.67
LMNA P02545 5/20 0.67
MEN1 O00255 4/20 0.67
HTT P42858 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL3639863 0.87 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL29588162 0.87 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2
Phosphine SCHEMBL15543212 0.86 KDM4E (0.97) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL12325283 0.80 KMT2A (1.00) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL20776032 0.79 NPC1 (0.54) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL1284437 0.79 KDM4E (0.74) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL29475390 0.79 KDM4E (0.74) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL29808445 0.77 SMN1; SMN2 (0.51) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL22955293 0.77 SMN1; SMN2 (0.51) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL5334468 0.77 RAB9A (0.82) KDM4ENPC1RAB9ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524898-B2 Proton acceptor iminium/carbocation-type coupling agents LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2013-09-03 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-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 4871/4885NPC1 3699/4885RAB9A 1625/4885

“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.