SCHEMBL13229683

SCHEMBL13229683

COC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.49
PKM P14618 1/20 0.49
ALOX5 P09917 2/20 0.48

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
SCHEMBL3057546 0.90 ALOX5 (0.58) GAAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3069141 0.90 ALOX5 (0.58) GAAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3057548 0.90 ALOX5 (0.58) GAAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3886906 0.83 ALDH1A1 (0.54) GAAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7946598 0.83 ALDH1A1 (0.54) GAAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3886903 0.83 ALDH1A1 (0.54) GAAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL13229356 0.82 GPR139 (0.63) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL31546622 0.82 ALDH1A1 (0.63) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL31546679 0.82 ALDH1A1 (0.63) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3888758 0.82 ALDH1A1 (0.67) GAAHTTSMN1; SMN2POLBALDH1A1

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 GAA 90/4885MEN1 636/4885KMT2A 839/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 GAA 90/4885MEN1 636/4885KMT2A 839/4885

“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.