SCHEMBL13222352

SCHEMBL13222352

CC(C)(C)c1ccc(-c2ncco2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ KIF11 P52732 2/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ CCNK O75909 4/20 0.31
▸ CDK12 Q9NYV4 4/20 0.31
▸ NPC1 O15118 2/20 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
SCHEMBL45857 0.77 CCR1 (0.46) NPSR1KDM4ERAB9ALMNAPOLB
SCHEMBL13222357 0.77 LTA4H (0.50) NPSR1KDM4EHPGDSRAB9ALMNA
SCHEMBL13114689 0.77 CCR1 (0.56) KDM4EHPGDSCCNCCDK8RAB9A
SCHEMBL1558150 0.73 CA2 (0.40) KDM4EHPGDSCCNCCDK8CASP3
SCHEMBL30753608 0.73 HPGDS (0.40) HPGDSCCNCCDK8RAB9AL3MBTL1
SCHEMBL14988353 0.73 HPGDS (0.40) HPGDSCCNCCDK8RAB9AL3MBTL1
SCHEMBL31255994 0.73 HPGDS (0.40) HPGDSCCNCCDK8LTA4HBRD4
SCHEMBL7429910 0.73 HPGDS (0.40) HPGDSCCNCCDK8LTA4HBRD4
SCHEMBL29843360 0.73 CA2 (0.40) KDM4EHPGDSCCNCCDK8CASP3
SCHEMBL14211873 0.72 HPGDS (0.37) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772183-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 — — US disclosed
US-20070093414-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — 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-20070093414-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, PYGL NPSR1 4210/4885KDM4E 3825/4885HPGDS 544/4885

“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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