SCHEMBL2160641

SCHEMBL2160641

Cc1c(O)cnc(C(N)=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.38
LCK P06239 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NNMT P40261 7/20 0.33
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKMYT1 Q99640 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
KAT2B Q92831 1/20 0.32
SIRT6 Q8N6T7 2/20 0.32
TSHR P16473 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 1/20 0.31
MC3R P41968 1/20 0.31

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
Acetic Acid SCHEMBL30471530 0.94 EGLN1 (0.38) EGLN1LCKLMNAALDH1A1NNMT
SCHEMBL18132290 0.77 POLB (0.37) LCKLMNAALDH1A1NNMTTDP1
SCHEMBL1503182 0.73 EGLN1 (0.36) EGLN1LCKLMNAALDH1A1KDM4E
SCHEMBL18279368 0.72 PKMYT1 (0.38) LCKNNMTPKMYT1CDK8
SCHEMBL1503144 0.72 NNMT (0.36) EGLN1ALDH1A1NNMTTDP1KDM4E
SCHEMBL20555873 0.71 PARP1 (0.39) LMNAALDH1A1NNMTSIRT3TDP1
SCHEMBL29827533 0.71 PARP1 (0.39) LMNAALDH1A1NNMTSIRT3TDP1
SCHEMBL31501586 0.69 SIRT6 (0.39) EGLN1LCKLMNAALDH1A1NNMT
SCHEMBL20765628 0.69 NNMT (0.47) NNMTSIRT3TDP1KDM4E
SCHEMBL2260982 0.69 KDM4E (0.43) LMNAALDH1A1KDM4E

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-8664248-B2 Derivatives of pyridoxine for inhibiting HIV integrase TAIMED BIOLOGICS, INC. (TW) 2014-03-04 US disclosed
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA, INC. (CA) 2012-12-27 US disclosed
US-8283366-B2 Derivatives of pyridoxine for inhibiting HIV integrase AMBRILIA BIOPHARMA, INC. (CA) 2012-10-09 US disclosed
US-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TAIMED BIOLOGICS, INC. (TW) 2011-07-28 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-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD EGLN1 3194/4885LCK 975/4885LMNA 1522/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD EGLN1 3194/4885LCK 975/4885LMNA 1522/4885

“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.