Sugi Predict

Sugi Predict / Compounds / SCHEMBL20030151

SCHEMBL20030151

SCHEMBL20030151

c1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5ccc6c(c5)c5c7c(ccc5n6-c5ccccc5)oc5ccccc57)cc4c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ TSHR P16473 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 11/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ POLB P06746 3/20 0.37
▸ LMNA P02545 5/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL20024225 0.93 ALDH1A1 (0.38) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL20030153 0.90 ALDH1A1 (0.37) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL19247017 0.90 ALDH1A1 (0.43) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL19247965 0.90 ALDH1A1 (0.43) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL19537849 0.89 MAPT (0.33) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL20024222 0.89 ALDH1A1 (0.40) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL20030032 0.89 ALDH1A1 (0.39) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL20030169 0.89 KDM4E (0.39) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL29697251 0.89 ALDH1A1 (0.40) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL20029898 0.89 ALDH1A1 (0.40) ALDH1A1TSHRHPGDMAPTKDM4E

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.