SCHEMBL5097958

SCHEMBL5097958

CCOc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ DHPS P49366 8/20 0.40
▸ EDNRA P25101 2/20 0.40
▸ EDNRB P24530 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ ALPL P05186 1/20 0.37
▸ ALPI P09923 1/20 0.37

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
SCHEMBL6490043 0.91 KDM4E (0.39) KDM4EDHPSLMNAMEN1KMT2A
SCHEMBL4062097 0.90 DHPS (0.51) DHPSEDNRAEDNRB
SCHEMBL5097965 0.82 DHPS (0.56) DHPSALDH1A1
SCHEMBL4061451 0.76 DHPS (0.58) DHPSEDNRAEDNRB
SCHEMBL7698526 0.75 DHPS (0.46) DHPSEDNRAEDNRB
SCHEMBL29770374 0.75 DHPS (0.58) DHPSEDNRAEDNRB
SCHEMBL618135 0.75 DHPS (0.58) DHPSEDNRAEDNRB
SCHEMBL4061140 0.74 EDNRA (0.67) DHPSEDNRAEDNRB
SCHEMBL7700296 0.73 EDNRA (0.57) DHPSEDNRAEDNRB
SCHEMBL4060083 0.73 EDNRA (0.64) DHPSEDNRAEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 — — US disclosed
US-20050085639-A1 Novel alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-04-21 — — 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-20050085639-A1 Novel alkansulfonamides as endothelin antagonists EDNRA, EDNRB, ECE1 KDM4E 916/4885DHPS 2156/4885EDNRA 1/4885

“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.

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