SCHEMBL2724029

SCHEMBL2724029

O=C1N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TNKS2 Q9H2K2 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.41
P2RX7 Q99572 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL2724030 1.00 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1TNKS2MAPT
SCHEMBL15669988 0.86 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1TNKS2MAPT
SCHEMBL7090697 0.81 CA2 (0.50) CA2
SCHEMBL6259561 0.79 TNKS2 (0.57) SMN1; SMN2KMT2AMEN1TNKS2MAPT
SCHEMBL10790758 0.76 SIRT1 (0.48) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL29264501 0.76 MEN1 (0.45) SMN1; SMN2KMT2AMEN1TNKS2MAPT
SCHEMBL12463067 0.75 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1TNKS2MAPT
SCHEMBL13567612 0.75 ALDH1A1 (0.44) KMT2AMEN1TNKS2LMNATP53
SCHEMBL9741405 0.75 CYP19A1 (0.42) KMT2AMEN1MAPTLMNATP53
SCHEMBL13811867 0.74 KMO (0.51) KMT2AMEN1TP53CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632917-B1 NOVEL PHASE TRANSFER CATALYSTS UNIV SINGAPORE (SG) 2016-04-20 EP disclosed
EP-2632917-A1 NOVEL PHASE TRANSFER CATALYSTS National University of Singapore (SG) 2013-09-04 EP disclosed
US-20130217889-A1 NOVEL PHASE TRANSFER CATALYSTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-08-22 US disclosed
US-20130217889-A1 NOVEL PHASE TRANSFER CATALYSTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-08-22 US disclosed
US-20130217889-A1 NOVEL PHASE TRANSFER CATALYSTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-08-22 US disclosed
WO-2012057709-A1 NOVEL PHASE TRANSFER CATALYSTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-05-03 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 (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-20130217889-A1 NOVEL PHASE TRANSFER CATALYSTS POLR2B, POLR1A, POLR2A SMN1; SMN2 1477/4885KMT2A 1808/4885MEN1 1475/4885

“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.