SCHEMBL20514136

SCHEMBL20514136

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.56
▸ POLB P06746 2/20 0.52
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ S1PR2 O95136 1/20 0.44
▸ S1PR4 O95977 1/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ KLK7 P49862 1/20 0.43

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
SCHEMBL23026169 0.83 HPGD (0.60) HPGDPOLBALDH1A1KDM4ES1PR2
SCHEMBL20514052 0.81 PKM (0.44) HPGDPOLBALDH1A1RAB9AGAA
SCHEMBL20514287 0.81 HPGD (0.49) HPGDPOLBALDH1A1KDM4ES1PR2
SCHEMBL23026172 0.78 HPGD (0.44) HPGDPOLBALDH1A1KDM4ES1PR2
SCHEMBL8790854 0.73 POLB (0.71) HPGDPOLBTSHRKLK7
SCHEMBL20514138 0.73 DRD2 (0.45) ALDH1A1KDM4ELMNAGAA
SCHEMBL6666790 0.71 GAA (0.72) HPGDPOLBTSHRALDH1A1KDM4E
SCHEMBL20514063 0.70 POLB (0.64) HPGDPOLBALDH1A1KDM4ELMNA
SCHEMBL23026125 0.69 HPGD (0.41) HPGDPOLBALDH1A1KDM4ES1PR2
SCHEMBL20515251 0.69 HPGD (0.50) HPGDPOLBTSHRALDH1A1KDM4E

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 4292/4885POLB 4867/4885TSHR 481/4885
US-11155525-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 HPGD 4292/4885POLB 4867/4885TSHR 481/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 HPGD 4302/4885POLB 4857/4885TSHR 579/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 HPGD 4319/4885POLB 4846/4885TSHR 573/4885
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 HPGD 4280/4885POLB 4851/4885TSHR 556/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 HPGD 4244/4885POLB 4868/4885TSHR 472/4885

“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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