SCHEMBL20514287

SCHEMBL20514287

COc1cccc(OC)c1NC(=S)NNC(=O)c1ccc(C)o1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 5/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ S1PR2 O95136 1/20 0.46
▸ S1PR4 O95977 1/20 0.46
▸ S1PR3 Q99500 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KLK7 P49862 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44

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
SCHEMBL20514063 0.86 POLB (0.64) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL23026169 0.85 HPGD (0.60) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL20514117 0.84 HTT (0.43) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL20514264 0.83 GAA (0.47) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL20514128 0.82 ALDH1A1 (0.49) HPGDALDH1A1GAARAB9ANPC1
SCHEMBL20514150 0.81 ALDH1A1 (0.48) HPGDALDH1A1GAARAB9ANPC1
SCHEMBL20514136 0.81 HPGD (0.56) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL23026172 0.80 HPGD (0.44) HPGDALDH1A1KDM4ERAB9ANPC1
SCHEMBL20514204 0.78 GAA (0.64) HPGDALDH1A1KDM4EGAARAB9A
SCHEMBL20190340 0.77 APLNR (0.49) HPGDALDH1A1KDM4EGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12071413-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2024-08-27 — — US disclosed
EP-3380970-B1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2023-01-04 — — EP disclosed
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 — — US disclosed
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 — — US disclosed
US-11155525-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2021-10-26 — — US disclosed
US-11155525-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2021-10-26 — — US disclosed
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 — — US disclosed
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 — — US disclosed
US-10626096-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 — — US disclosed
US-10626096-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 — — US disclosed
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-10-04 — — US disclosed
EP-3380970-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST Sanford Burnham Prebys Medical Discovery Institute (US) 2018-10-03 — — EP 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 (6 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-12071413-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 HPGD 4292/4885ALDH1A1 2642/4885KDM4E 1867/4885
US-11155525-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 HPGD 4292/4885ALDH1A1 2642/4885KDM4E 1867/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 HPGD 4302/4885ALDH1A1 2968/4885KDM4E 1779/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 HPGD 4319/4885ALDH1A1 2845/4885KDM4E 1815/4885
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 HPGD 4280/4885ALDH1A1 2828/4885KDM4E 1792/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 HPGD 4244/4885ALDH1A1 2622/4885KDM4E 1828/4885

“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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