SCHEMBL2220375

SCHEMBL2220375

O=C(NOCc1ccccc1)c1ncc(CNCc2ccc3c(c2)OCO3)c(CO)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
HDAC1 Q13547 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12516697 0.87 PKM (0.51) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL2220527 0.84 LMNA (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL22283894 0.84 NPC1 (0.41) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2220214 0.80 NPC1 (0.48) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL1503236 0.78 HPGD (0.41) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL2219957 0.74 HDAC1 (0.54) KMT2AMEN1HPGDMAPK1ALDH1A1
SCHEMBL12516470 0.73 APEX1 (0.45) KMT2AMEN1NPC1RAB9AGFER
SCHEMBL12516485 0.72 SGMS2 (0.49) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL13577665 0.72 ERCC1 (0.44) NPC1RAB9AL3MBTL1MAPT
SCHEMBL29829690 0.71 NPC1 (0.42) KMT2AHPGDNPC1RAB9AMAPK1

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-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US claimed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB KMT2A 1953/4885MEN1 3827/4885HPGD 442/4885

“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.