SCHEMBL13724813

SCHEMBL13724813

CCOC(=O)C(Cc1c(N)cccc1Cl)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
MMP8 P22894 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 1/20 0.40
NLRP3 Q96P20 1/20 0.40
CASP1 P29466 1/20 0.39
RORC P51449 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
SCHEMBL9956609 0.82 KMT2A (0.45) KMT2AALDH1A1KDM4EPOLBMMP8
SCHEMBL3714554 0.82 KMT2A (0.45) KMT2AALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL3722266 0.81 AKR1B1 (0.48) KMT2AALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL21573712 0.80 ALDH1A1 (0.49) KMT2AALDH1A1KDM4EL3MBTL1POLB
SCHEMBL11389016 0.78 ALDH1A1 (0.41) KMT2AALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL13150211 0.78 L3MBTL1 (0.49) KMT2AALDH1A1KDM4EL3MBTL1POLB
SCHEMBL11395233 0.78 ALDH1A1 (0.41) KMT2AALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL1246314 0.76 KMT2A (0.63) KMT2AALDH1A1KDM4EL3MBTL1POLB
SCHEMBL11393940 0.76 PDCD1 (0.41) KMT2AALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL16218019 0.76 TDP1 (0.50) KMT2AALDH1A1MAPK1L3MBTL1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
EP-2701512-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-05 EP disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
WO-2012148808-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-01 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-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, HSD11B1 KMT2A 3527/4885ALDH1A1 290/4885HSD17B10 47/4885

“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.