SCHEMBL13229122

SCHEMBL13229122

COC(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ HTT P42858 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ LOXL2 Q9Y4K0 1/20 0.54
▸ SLC7A5 Q01650 1/20 0.53
▸ HPGD P15428 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP4F2 P78329 1/20 0.52
▸ CYP4A11 Q02928 1/20 0.52
▸ HSD17B1 P14061 1/20 0.52
▸ HSD17B2 P37059 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51

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
SCHEMBL4835879 0.85 LOXL2 (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13229125 0.85 KMT2A (0.90) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL15676710 0.84 KMT2A (0.82) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL307148 0.82 HTT (0.58) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL1003665 0.81 KMT2A (0.83) KMT2AMEN1ALDH1A1HDAC1HDAC6
SCHEMBL18186542 0.81 KMT2A (0.82) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL2228587 0.81 KMT2A (0.82) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL16706893 0.81 LOXL2 (0.62) ALDH1A1SMN1; SMN2KDM4ELOXL2SLC7A5
SCHEMBL13702372 0.81 KMT2A (0.76) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL166749 0.80 MEN1 (0.51) KMT2AMEN1HTTALDH1A1SMN1; SMN2

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 636/4885HTT 181/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 KMT2A 839/4885MEN1 636/4885HTT 181/4885

“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.

Send feedback