SCHEMBL10044972

SCHEMBL10044972

Cc1c(C(=O)C(C)C)nnn1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGS2 P35354 2/20 0.30
GAA P10253 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
SCHEMBL3700954 0.77 HTT (0.52) GRIA1GRIA2GRIA3GRIA4HTT
SCHEMBL12343345 0.77 PTGS2 (0.47) TSHRHTTALDH1A1PTGS2
SCHEMBL21728685 0.76 KDM4E (0.45) KDM4E
SCHEMBL14154659 0.75 MEN1 (0.45) GRIA1GRIA2GRIA3GRIA4HTT
SCHEMBL2938277 0.75 PTGS2 (0.35) GRIA1GRIA2GRIA3GRIA4HTT
SCHEMBL22044444 0.73 NPC1 (0.34) GRIA1GRIA2GRIA3GRIA4PTGS2
SCHEMBL18179861 0.72 BAZ2B (0.46) TSHRHTTALDH1A1KDM4EPTGS2
SCHEMBL17452649 0.71 HTT (0.71) HTTALDH1A1KDM4EPTGS2GAA
SCHEMBL24872432 0.69 NPC1 (0.34) GRIA1GRIA2GRIA3GRIA4PTGS2
SCHEMBL1412553 0.69 TP53 (0.56) TSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348518-A1 HELICASE INHIBITORS FOR TREATMENT OF MEDICAL DISORDERS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-11-02 US disclosed
US-8268777-B2 Oximyl macrocyclic derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8193346-B2 Process for making macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-8193346-B2 Process for making macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 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 (3 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-20230348518-A1 HELICASE INHIBITORS FOR TREATMENT OF MEDICAL DISORDERS RECQL, DDX21, DDX41 GRIA1 4298/4885GRIA2 4245/4885GRIA3 4403/4885
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES CYP3A4, CYP4A22, HCCS GRIA1 4718/4885GRIA2 4859/4885GRIA3 4670/4885
US-20090156800-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS PREP, HCCS, PEPD GRIA1 4681/4885GRIA2 4814/4885GRIA3 4608/4885

“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.