SCHEMBL803696

SCHEMBL803696

COC(=O)c1ccc2c(c1)C(NC(=O)CCC1CCCC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NAMPT P43490 1/20 0.43
DHODH Q02127 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4A P27815 1/20 0.41

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
SCHEMBL803506 1.00 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL803516 0.89 NAMPT (0.52) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL785393 0.87 HPGD (0.43) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL785456 0.87 HPGD (0.43) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL803556 0.81 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL2820245 0.81 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL803580 0.80 CA12 (0.50) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL877913 0.80 KDM4E (0.47) KDM4EHPGD
SCHEMBL803551 0.80 ALDH1A1 (0.52) KMT2AMEN1MAPTALDH1A1PDE4A
SCHEMBL14996320 0.80 KMT2A (0.52) KMT2AMEN1MAPTKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 KMT2A 2222/4885MEN1 2563/4885MAPT 3149/4885

“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.