SCHEMBL6494672

SCHEMBL6494672

COC(=O)c1cc(-c2ccco2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 3/20 0.54
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
MALT1 Q9UDY8 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FAAH O00519 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
F2 P00734 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL1984665 0.89 RPA1 (0.68) RPA1PTGS1PTGS2MALT1ALDH1A1
SCHEMBL1995003 0.89 RPA1 (0.50) RPA1PTGS1PTGS2MALT1ALDH1A1
SCHEMBL1999172 0.88 PTGS1 (0.56) RPA1PTGS1PTGS2MALT1ALDH1A1
SCHEMBL28020832 0.86 PTGS2 (0.49) RPA1PTGS1PTGS2MALT1ALDH1A1
SCHEMBL18622977 0.80 KDM4E (0.72) RPA1PTGS1PTGS2ALDH1A1KMT2A
SCHEMBL17064882 0.79 MEN1 (0.47) PTGS1PTGS2ALDH1A1KMT2AMEN1
SCHEMBL31067607 0.79 MEN1 (0.47) PTGS1PTGS2ALDH1A1KMT2AMEN1
SCHEMBL15229876 0.78 RXRA (0.52) PTGS1ALDH1A1KMT2AMEN1HPGD
SCHEMBL2003028 0.77 PTGS1 (0.56) RPA1PTGS1PTGS2ALDH1A1KMT2A
SCHEMBL13389277 0.77 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956040-B2 Oxazolidinone piperazinyl derivatives as potential antimicrobials RANBAXY LABORATORIES LIMITED (IN) 2005-10-18 US disclosed
US-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 US disclosed
US-20030119817-A1 Oxazolidinone derivatives as potential antimicrobials MEHTA ANITA (IN) 2003-06-26 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 (2 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 RPA1 1206/4885PTGS1 2921/4885PTGS2 3702/4885
US-20030119817-A1 Oxazolidinone derivatives as potential antimicrobials OXA1L, PDK4, SDHA RPA1 3992/4885PTGS1 3290/4885PTGS2 3850/4885

“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.