SCHEMBL6789587

SCHEMBL6789587

COC(=O)c1cnc2c(c1)nc(-c1ccc(O)cc1)n2-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
ALDH1A1 P00352 7/20 0.46
POLB P06746 1/20 0.44
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 2/20 0.43
FGFR1 P11362 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 1/20 0.43
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL6668322 0.88 ALDH1A1 (0.47) SIRT2SIRT1ALDH1A1MAPTCYP2C19
SCHEMBL6701015 0.82 SIRT2 (0.68) SIRT2SIRT1ALDH1A1POLBHPGD
SCHEMBL6701014 0.78 MTOR (0.44) ALDH1A1HPGDALOX15SMN1; SMN2NPSR1
SCHEMBL6439134 0.75 ESR2 (0.66) SIRT2SIRT1ALDH1A1POLBHPGD
SCHEMBL422989 0.75 ALDH1A1 (0.50) SIRT2SIRT1ALDH1A1POLBHPGD
SCHEMBL23675318 0.73 MAPK1 (0.53) ALDH1A1POLBHPGDMAPTKDM4E
SCHEMBL12374628 0.72 TDP1 (0.40) SIRT2SIRT1ALDH1A1POLBHPGD
SCHEMBL13202022 0.71 HPGD (0.55) HPGDMAPTFGFR1ESR1ESR2
SCHEMBL23675167 0.70 MAPK1 (0.49) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL5116848 0.69 MEN1 (0.46) POLBKDM4EHSD17B10KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803374-B2 INHIBIT THE RNA-DEPENDENT RNA POLYMERASE (RDRP) ENCODED BY HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20040067976-A1 Compounds useful for treating Hepatitis C virus PRIESTLEY ELDON SCOTT (US) 2004-04-08 US disclosed
US-20030134853-A1 Compounds useful for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2003-07-17 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-20040067976-A1 Compounds useful for treating Hepatitis C virus OAT, HAVCR2, GOT1 SIRT2 3535/4885SIRT1 2446/4885ALDH1A1 102/4885
US-20030134853-A1 Compounds useful for treating hepatitis C virus OAT, HAVCR2, GOT1 SIRT2 3535/4885SIRT1 2446/4885ALDH1A1 102/4885

“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.