SCHEMBL20515258

SCHEMBL20515258

COc1cccc(OC)c1N(NC(=O)c1ccccc1)C(N)=S

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMO Q99835 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL20515254 0.86 MAPT (0.54) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL20515253 0.84 PTK2 (0.41) NPC1ALDH1A1SMN1; SMN2HPGDALOX12
SCHEMBL20515292 0.80 HPGD (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL20515251 0.79 HPGD (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL19095415 0.78 KMT2A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2ALOX12
SCHEMBL20515268 0.78 GAA (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL20515252 0.77 POLB (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL20515283 0.76 MAPT (0.43) ALDH1A1HPGDMAPT
SCHEMBL20515262 0.75 KMT2A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL16127142 0.70 EPHX1 (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD

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 7 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-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-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

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 RAB9A 3035/4885NPC1 1041/4885ALDH1A1 2642/4885
US-11155525-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 RAB9A 3035/4885NPC1 1041/4885ALDH1A1 2642/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 RAB9A 2687/4885NPC1 1096/4885ALDH1A1 2968/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 RAB9A 2791/4885NPC1 1039/4885ALDH1A1 2845/4885
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 RAB9A 2793/4885NPC1 1051/4885ALDH1A1 2828/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 RAB9A 3044/4885NPC1 1047/4885ALDH1A1 2622/4885

“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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