Sugi Predict

Sugi Predict / Compounds / SCHEMBL20030152

SCHEMBL20030152

SCHEMBL20030152

c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)c3oc4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)cc4c3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ TSHR P16473 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ MAPT P10636 10/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ LMNA P02545 5/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ POLB P06746 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL20030153 0.91 ALDH1A1 (0.37) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL20024229 0.91 ALDH1A1 (0.36) ALDH1A1TSHRHPGDMAPTALOX5
SCHEMBL20030042 0.90 ALDH1A1 (0.38) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL20030248 0.90 PIM1 (0.38) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL20030165 0.90 PIM1 (0.37) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL20030163 0.90 SIRT2 (0.36) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL20030252 0.89 MAPT (0.35) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL19537736 0.88 PIM1 (0.40) ALDH1A1TSHRHPGDPIM1CSNK2A2
SCHEMBL18273196 0.88 TSHR (0.38) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL18273220 0.87 ALDH1A1 (0.37) ALDH1A1TSHRHPGDMAPTSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030890-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures MERCK PATENT GMBH (DE) 2024-07-09 — — US disclosed
US-12030890-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures MERCK PATENT GMBH (DE) 2024-07-09 — — US disclosed
US-11530224-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures MERCK PATENT GMBH (DE) 2022-12-20 — — US disclosed
EP-3519417-B1 COMPOUNDS WITH DIAZADIBENZOFURANE OR DIAZADIBENZOTHIOPHENE STRUCTURES MERCK PATENT GMBH (DE) 2021-09-08 — — EP disclosed
WO-2018060307-A1 COMPOUNDS WITH DIAZADIBENZOFURANE OR DIAZADIBENZOTHIOPHENE STRUCTURES MERCK PATENT GMBH (DE) 2018-04-05 — — WO 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 (2 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-12030890-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures DDT, ESD, DBF4 ALDH1A1 722/4885TSHR 3265/4885HPGD 1214/4885
US-11530224-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures DDT, ESD, DBF4 ALDH1A1 722/4885TSHR 3265/4885HPGD 1214/4885

“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.