SCHEMBL20514124

SCHEMBL20514124

COc1cccc(OC)c1NC(=O)CNC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL20514052 0.84 PKM (0.44) PKMMEN1KMT2ACA12CA1
SCHEMBL20514222 0.81 PKM (0.50) PKM
SCHEMBL2095568 0.81 CA12 (0.55) MEN1KMT2ACA12CA1CA2
SCHEMBL11318304 0.78 SMN1; SMN2 (0.56) PKMMEN1KMT2ACA12CA1
SCHEMBL28045984 0.78 MEN1 (0.53) PKMMEN1KMT2ACA12CA1
SCHEMBL17886503 0.78 MEN1 (0.46) PKMMEN1KMT2ACA12CA1
SCHEMBL9672996 0.75 SMN1; SMN2 (0.61) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL18415530 0.75 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7532501 0.74 PKM (0.56) PKMMEN1KMT2ASMN1; SMN2ATM
SCHEMBL28501652 0.74 ALDH1A1 (0.62) MEN1KMT2APOLBSMN1; SMN2HSD17B10

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
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
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 (5 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-11155525-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 PKM 4002/4885MEN1 934/4885KMT2A 1425/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 PKM 4135/4885MEN1 1334/4885KMT2A 1354/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 PKM 4216/4885MEN1 1089/4885KMT2A 1359/4885
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 PKM 4198/4885MEN1 1074/4885KMT2A 1309/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 PKM 3994/4885MEN1 944/4885KMT2A 1383/4885

“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.