SCHEMBL13229125

SCHEMBL13229125

CN(Cc1ccccc1)C(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.90

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.90
MEN1 O00255 2/20 0.90
HPGD P15428 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
HSD17B1 P14061 2/20 0.57
HSD17B2 P37059 2/20 0.57
HTT P42858 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ATM Q13315 1/20 0.55

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
SCHEMBL1003665 0.86 KMT2A (0.83) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL2228587 0.86 KMT2A (0.82) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL15676710 0.86 KMT2A (0.82) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL18186542 0.86 KMT2A (0.82) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL13229122 0.85 KMT2A (0.80) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL5644480 0.84 KMT2A (0.79) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL1196913 0.84 KMT2A (0.79) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL3883126 0.84 KMT2A (0.79) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL4836068 0.83 MEN1 (0.63) KMT2AMEN1HSD17B1HSD17B2
SCHEMBL1696458 0.83 KMT2A (0.77) KMT2AMEN1HPGDALDH1A1GAA

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
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US 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-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 KMT2A 839/4885MEN1 636/4885HPGD 1926/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 KMT2A 839/4885MEN1 636/4885HPGD 1926/4885

“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.