SCHEMBL14211873

SCHEMBL14211873

CC(C)c1ccc(-c2ncco2)nc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.37
▸ NOTUM Q6P988 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CCNK O75909 4/20 0.33
▸ CDK12 Q9NYV4 4/20 0.33
▸ CYP11B1 P15538 4/20 0.33
▸ CYP11B2 P19099 4/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ FFAR2 O15552 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ PDE2A O00408 1/20 0.30

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
SCHEMBL21241336 0.77 HPGD (0.34) HPGDSNOTUMLTA4HBRD4HPGD
SCHEMBL13602061 0.77 CCR1 (0.46) CYP11B1CYP11B2CHRNA7
SCHEMBL9263374 0.77 NOTUM (0.53) HPGDSNOTUMLTA4HBRD4HPGD
SCHEMBL13114689 0.77 CCR1 (0.56) HPGDSCCNCCDK8CCNKCDK12
SCHEMBL14211174 0.77 HPGDS (0.43) HPGDSNOTUMLTA4HBRD4
SCHEMBL12896119 0.76 LTA4H (0.40) HPGDSNOTUMCCNCCDK8CCNK
SCHEMBL12248374 0.74 HPGDS (0.34) HPGDSLTA4HHPGD
SCHEMBL14988353 0.73 HPGDS (0.40) HPGDSCCNCCDK8CCNKCDK12
SCHEMBL1558150 0.73 CA2 (0.40) HPGDSCCNCCDK8CCNKCDK12
SCHEMBL31255994 0.73 HPGDS (0.40) HPGDSCCNCCDK8LTA4HBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 — — US disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 — — US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — US 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 (1 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-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 HPGDS 1272/4885NOTUM 3876/4885CCNC 2218/4885

“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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