SCHEMBL6494473

SCHEMBL6494473

COc1cc(NC(=O)C(=O)NC(C)(C)CSc2ccc(O)cc2)ccc1-c1cnco1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 15/20 0.75
IMPDH1 P20839 6/20 0.69
AAK1 Q2M2I8 6/20 0.54

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
SCHEMBL6483749 0.92 IMPDH2 (0.74) IMPDH2IMPDH1AAK1
SCHEMBL6501653 0.92 IMPDH2 (0.70) IMPDH2IMPDH1AAK1
SCHEMBL6486074 0.92 IMPDH2 (0.73) IMPDH2IMPDH1AAK1
SCHEMBL6488624 0.92 IMPDH2 (0.70) IMPDH2IMPDH1AAK1
SCHEMBL6485618 0.88 IMPDH2 (0.63) IMPDH2IMPDH1AAK1
SCHEMBL6500037 0.87 IMPDH2 (0.79) IMPDH2IMPDH1AAK1
SCHEMBL1473286 0.86 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL6486279 0.85 IMPDH2 (0.77) IMPDH2IMPDH1AAK1
SCHEMBL1474188 0.84 IMPDH2 (0.85) IMPDH2IMPDH1AAK1
SCHEMBL6485875 0.84 IMPDH2 (0.69) IMPDH2IMPDH1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US claimed
US-6932961-B1 Oxazinocarbazoles for the treatment of CNS diseases PHARMACIA & UPJOHN COMPANY (US) 2005-08-23 US disclosed
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed
US-6821970-B2 USEFUL FOR TREATING DISEASES WHEREIN MODULATION OF 5-HT ACTIVITY IS DESIRED; NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-11-23 US disclosed
EP-1200447-B1 OXAZINOCARBAZOLES FOR THE TREATMENT OF CNS DISEASES UPJOHN CO (US) 2003-10-01 EP disclosed
US-20020169317-A1 Oxazinocarbazoles for the treatment of CNS diseases TENBRINK RUTH ELIZABETH (US) 2002-11-14 US disclosed
US-6448397-B1 TREATING CENTRAL NERVOUS SYSTEM DISEASES WITH MODULATION OF 5-HT ACTIVITY; ADRENERGIC, DOPAMINERGIC, AND SEROTONERGIC NEUROTRANSMITTERS; PSYCHOSIS, PARAPHRENIA, DEPRESSION, MANIA, SCHIZOPHRENIA, ANXIETY, MIGRAINE HEADACHE, DRUG ADDICTION PHARMACIA & UPJOHN COMPANY 2002-09-10 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-20020169317-A1 Oxazinocarbazoles for the treatment of CNS diseases HTR1B, TPH1, HTR7 IMPDH2 1898/4885IMPDH1 1265/4885AAK1 3347/4885

“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.