SCHEMBL20514063

SCHEMBL20514063

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ ALDH1A1 P00352 7/20 0.61
▸ GAA P10253 5/20 0.58
▸ KMT2A Q03164 6/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ MAPT P10636 4/20 0.57
▸ CYP1A2 P05177 1/20 0.55
▸ ALPL P05186 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 2/20 0.52
▸ GALK1 P51570 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL20514287 0.86 HPGD (0.49) POLBNPC1ALDH1A1GAAMAPT
SCHEMBL6666790 0.86 GAA (0.72) POLBNPC1ALDH1A1GAAKMT2A
SCHEMBL20514264 0.80 GAA (0.47) POLBNPC1ALDH1A1GAAKMT2A
SCHEMBL20514204 0.77 GAA (0.64) POLBNPC1ALDH1A1GAAKMT2A
SCHEMBL20514022 0.74 GAA (0.51) POLBNPC1ALDH1A1GAAKMT2A
SCHEMBL20515268 0.74 GAA (0.53) POLBNPC1ALDH1A1GAAKMT2A
SCHEMBL6641747 0.73 ALDH1A1 (0.64) POLBNPC1ALDH1A1GAAKMT2A
SCHEMBL20513984 0.72 ALDH1A1 (0.66) NPC1ALDH1A1GAAKMT2AMEN1
SCHEMBL15484253 0.72 HPGD (0.51) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL20515255 0.71 GAA (0.73) POLBALDH1A1GAAKMT2AMEN1

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 POLB 4867/4885NPC1 1041/4885ALDH1A1 2642/4885
US-11155525-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 POLB 4867/4885NPC1 1041/4885ALDH1A1 2642/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 POLB 4857/4885NPC1 1096/4885ALDH1A1 2968/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 POLB 4846/4885NPC1 1039/4885ALDH1A1 2845/4885
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 POLB 4851/4885NPC1 1051/4885ALDH1A1 2828/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 POLB 4868/4885NPC1 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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