SCHEMBL6315467

SCHEMBL6315467

Cc1c(OC(N)=O)ccc2[nH]c(N)nc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.36
PARP1 P09874 7/20 0.36
RPS6KA3 P51812 1/20 0.35
PNP P00491 2/20 0.35
CHEK1 O14757 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NUDT1 P36639 2/20 0.33
PLA2G2A P14555 1/20 0.33
ALOX15 P16050 1/20 0.33
PTGS2 P35354 1/20 0.33
FABP6 P51161 1/20 0.33

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
SCHEMBL6314907 0.79 PARP1 (0.36) MMP12PARP1PNPCHEK1CDK5
SCHEMBL11176777 0.79 NUDT1 (0.43) PARP1CHEK1CDK5CDK5R1NUDT1
Carbamic Acid SCHEMBL6315736 0.77 RPS6KA3 (0.51) MMP12PARP1RPS6KA3PNPCHEK1
SCHEMBL2541920 0.72 CBFB (0.49) MMP12RPS6KA3PNPCDK5CDK5R1
SCHEMBL1202101 0.71 CA12 (0.45) PARP1PNPCDK5CDK5R1
SCHEMBL1203243 0.70 ALDH1A1 (0.39) PARP1PNP
SCHEMBL17276018 0.69 NUDT1 (0.49) MMP12RPS6KA3PNPCDK5CDK5R1
SCHEMBL17276041 0.69 MMP12 (0.43) MMP12PNPCDK5CDK5R1NUDT1
Carbamic Acid SCHEMBL6323883 0.68 ALDH1A1 (0.54) PARP1NUDT1
SCHEMBL17084658 0.68 TSHR (0.42) CHEK1CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192328-A1 Compounds and methods for use thereof in the treatment of viral infections UAF TECHNOLOGIES AND RESEARCH, LLC (US) 2005-09-01 US disclosed
US-6900235-B1 Benzimidazole compounds, and pharmaceutical compositions and unit dosages thereof UAF TECHNOLOGIES AND RESEARCH, LLC (US) 2005-05-31 US disclosed
US-6864275-B1 Anticancer agents; viricides UAF TECHNOLOGIES AND RESEARCH, LLC (US) 2005-03-08 US disclosed
US-6710065-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER OR A VIRAL INFECTION UAF TECHNOLOGIES AND RESEARCH, LLC 2004-03-23 US disclosed
US-6482843-B1 Compounds and methods for use thereof in the treatment of cancer or viral infections THE PROCTER & GAMBLE COMPANY 2002-11-19 US disclosed
US-6423735-B1 ADMINISTERING BENZIMIDAZOLE COMPOUND THE PROCTER & GAMBLE COMPANY 2002-07-23 US disclosed
US-6423736-B1 ADMINISTERING BENZIMIDAZOLE COMPOUND THE PROCTOR & GAMBLE COMPANY 2002-07-23 US disclosed
US-6420411-B1 BENZIMIDAZOLE DERIVATIVES USED TO TREAT MELANOMA, LEUKEMIA, AND COLON, BREAST, LUNG, PANCREATIC, OVARIAN, AND PROSTATE CANCER; USED TO TREAT HIV; IMPROVED WATER SOLUBILITY THE PROCTER & GAMBLE COMPANY 2002-07-16 US disclosed
US-6407131-B1 5-CARBONYLOXY-1H-BENZIMIDAZOLE-2-CARBAMATE DERIVATIVES THE PROCTER & GAMBLE COMPANY 2002-06-18 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 (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-20050192328-A1 Compounds and methods for use thereof in the treatment of viral infections PAICS, PIGO, BAD MMP12 1818/4885PARP1 1133/4885RPS6KA3 4476/4885

“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.