SCHEMBL13430565

SCHEMBL13430565

CC(C)(C)Oc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHPS P49366 15/20 0.43
EDNRA P25101 6/20 0.35
EDNRB P24530 4/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
NR1H3 Q13133 1/20 0.35
NR1I3 Q14994 1/20 0.35

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
SCHEMBL29770374 0.85 DHPS (0.58) DHPSEDNRAEDNRB
SCHEMBL618135 0.85 DHPS (0.58) DHPSEDNRAEDNRB
SCHEMBL12209056 0.82 SMN1; SMN2 (0.42) DHPS
SCHEMBL3227293 0.81 DHPS (0.51) DHPSEDNRAEDNRB
SCHEMBL7795451 0.77 DHPS (0.53) DHPSEDNRAEDNRB
SCHEMBL1008387 0.77 EDNRA (0.53) DHPSEDNRAEDNRBABCC3ABCC4
SCHEMBL13430567 0.76 EDNRA (0.54) DHPSEDNRAEDNRBABCC3ABCC4
SCHEMBL4064097 0.76 DHPS (0.74) DHPS
SCHEMBL1257596 0.76 DHPS (0.52) DHPSEDNRAEDNRB
SCHEMBL7300009 0.75 DHPS (0.51) DHPSEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080549-B2 Endothelin receptor antagonists CONCERT PHARMACEUTICALS, INC. (US) 2011-12-20 US disclosed
US-8071596-B2 Endothelin receptor antagonists CONCERT PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100063076-A1 Endothelin receptor antagonists SUN PHARMACEUTICAL INDUSTRIES, INC. 2010-03-11 US disclosed
US-20090005394-A1 Endothelin receptor antagonists SUN PHARMACEUTICAL INDUSTRIES, INC. 2009-01-01 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-20100063076-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 DHPS 2603/4885EDNRA 1/4885EDNRB 2/4885
US-20090005394-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 DHPS 3146/4885EDNRA 1/4885EDNRB 2/4885

“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.