SCHEMBL3650260

SCHEMBL3650260

COC(=O)[C@H](NC(=O)c1ccccc1N)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.43
PYGL P06737 5/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C9 P11712 1/20 0.40
TACR3 P29371 1/20 0.40
FADS1 O60427 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
SCHEMBL3650262 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ECFTRHSD17B10KMT2A
SCHEMBL3645634 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ARAB9ANPSR1HPGD
SCHEMBL3645631 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ARAB9ANPSR1HPGD
SCHEMBL2514653 0.79 CTSS (0.47) ALDH1A1KDM4ECFTRHSD17B10
SCHEMBL2514651 0.79 CTSS (0.47) ALDH1A1KDM4ECFTRHSD17B10
SCHEMBL8285399 0.76 ALDH1A1 (0.50) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL103927 0.75 ALDH1A1 (0.70) ALDH1A1KDM4ECFTRHSD17B10NPC1
SCHEMBL19455571 0.75 GAA (0.50) ALDH1A1KDM4EHSD17B10KMT2ATSHR
SCHEMBL17559711 0.75 GAA (0.50) ALDH1A1KDM4EHSD17B10KMT2ATSHR
SCHEMBL23201828 0.75 SLC6A3 (0.51) ALDH1A1KMT2APYGLHPGD

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-8377949-B2 Quinazolinedione chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-19 US disclosed
EP-2188277-B1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-11-21 EP disclosed
US-20120122863-A1 Quinazolinedione Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
EP-2188277-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009023655-A1 QUINAZOLINEDIONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 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-20120122863-A1 Quinazolinedione Chymase Inhibitors CMA1, CTSC, TPSG1 ALDH1A1 2108/4885KDM4E 3324/4885CFTR 698/4885

“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.