SCHEMBL2160307

SCHEMBL2160307

CNC(=O)c1ncccc1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.51
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
PLK1 P53350 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
YTHDC1 Q96MU7 1/20 0.41
KMT2A Q03164 3/20 0.41
EGLN2 Q96KS0 1/20 0.41
FTO Q9C0B1 1/20 0.41
P2RX7 Q99572 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL15966073 0.88 PARP1 (0.52) PARP1KDM4EMAPTCYP1A2PLK1
SCHEMBL7218347 0.85 PARP1 (0.50) PARP1KDM4EMAPTCYP1A2PLK1
SCHEMBL2220449 0.84 HDAC6 (0.47) KDM4EMAPTCYP1A2TRPV1KMT2A
SCHEMBL29289961 0.83 PARP1 (0.49) PARP1KDM4EMAPTCYP1A2PLK1
SCHEMBL2161057 0.82 KMT2A (0.44) PARP1KDM4EMAPTCYP1A2TRPV1
SCHEMBL27601273 0.82 PARP1 (0.48) PARP1KDM4EMAPTCYP1A2PLK1
SCHEMBL13118201 0.80 KDM4E (0.49) KDM4EMAPTCYP1A2TRPV1KMT2A
SCHEMBL19539578 0.80 ALDH1A1 (0.47) PARP1KDM4EMAPTCYP1A2KMT2A
SCHEMBL28677368 0.79 L3MBTL1 (0.57) PARP1KDM4EMAPTCYP1A2KMT2A
SCHEMBL21590337 0.79 PARP1 (0.46) PARP1KDM4EMAPTCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 US disclosed
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 (3 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 PARP1 512/4885KDM4E 875/4885MAPT 2535/4885
US-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 PARP1 4215/4885KDM4E 1315/4885MAPT 609/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD PARP1 512/4885KDM4E 875/4885MAPT 2535/4885

“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.