SCHEMBL12516705

SCHEMBL12516705

O=C(NCc1ccc(F)cc1)c1cnc(C(=O)NOCc2ccccc2)c(OCc2ccccc2)c1CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPT P10636 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SGMS2 Q8NHU3 1/20 0.47
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
RAB9A P51151 2/20 0.41
EGLN1 Q9GZT9 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 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
SCHEMBL12516485 0.94 SGMS2 (0.49) LMNAMAPTL3MBTL1SGMS2KMT2A
SCHEMBL12516492 0.93 LMNA (0.51) LMNAMAPTL3MBTL1SGMS2KMT2A
SCHEMBL12516468 0.92 LMNA (0.44) LMNAMAPTL3MBTL1SGMS2ALDH1A1
SCHEMBL12516704 0.89 NPC1 (0.49) LMNAMAPTKMT2AALDH1A1HPGD
SCHEMBL12515754 0.88 NPC1 (0.42) LMNAMAPTL3MBTL1SGMS2KMT2A
SCHEMBL29829690 0.88 NPC1 (0.42) LMNAMAPTL3MBTL1SGMS2KMT2A
SCHEMBL13577665 0.87 ERCC1 (0.44) LMNAMAPTL3MBTL1SGMS2RAB9A
SCHEMBL12516470 0.86 APEX1 (0.45) LMNAMAPTL3MBTL1SGMS2KMT2A
SCHEMBL1503139 0.85 LMNA (0.60) LMNAMAPTL3MBTL1SGMS2KMT2A
SCHEMBL12516712 0.85 KMT2A (0.51) LMNAMAPTL3MBTL1KMT2AALDH1A1

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-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
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO 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 LMNA 719/4885MAPT 2577/4885L3MBTL1 200/4885

“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.