SCHEMBL22477293

SCHEMBL22477293

COC(=O)c1ncc(OC)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
HPGD P15428 3/20 0.49
NPSR1 Q6W5P4 2/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.38
BACE1 P56817 2/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL16465971 0.86 NNMT (0.47) CYP3A4HPGDCA1CA2ALDH1A1
SCHEMBL31003104 0.84 HPGD (0.41) CYP3A4HPGDALDH1A1BACE1MAPK1
SCHEMBL312811 0.84 TSHR (0.43) CYP3A4HPGDCA1CA2ALDH1A1
SCHEMBL18698889 0.82 BACE1 (0.42) BACE1LMNAAPPBACE2KMT2A
SCHEMBL18496857 0.82 HPGD (0.38) CYP3A4HPGDALDH1A1BACE1KDM4E
SCHEMBL28263944 0.82 KDM4E (0.46) CYP3A4HPGDNPSR1CA1CA2
SCHEMBL26910332 0.82 NPSR1 (0.42) CYP3A4HPGDNPSR1CA1CA2
SCHEMBL10328703 0.82 KDM4E (0.43) CYP3A4NPSR1CA1CA2ALDH1A1
SCHEMBL31347580 0.81 ATM (0.50) CYP3A4NPSR1ATMALDH1A1KDM4E
SCHEMBL8272321 0.81 ATM (0.50) CYP3A4NPSR1ATMALDH1A1KDM4E

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
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-13 US disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO disclosed
US-20230159525-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-05-25 US disclosed
EP-3715341-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2020-09-30 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 (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-20230159525-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 CYP3A4 2631/4885HPGD 252/4885NPSR1 4206/4885
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKA, DGKK CYP3A4 4471/4885HPGD 1259/4885NPSR1 4604/4885

“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.