SCHEMBL1503161

SCHEMBL1503161

COCc1c(C(=O)N(C)Cc2ccc(F)cc2)c[n+]([O-])c(C)c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
LIMK2 P53671 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL2218209 0.82 KMT2A (0.52) KMT2ALIMK2ALDH1A1LMNAMAPT
SCHEMBL1503168 0.80 KMT2A (0.49) KMT2ALIMK2ALDH1A1LMNAMAPT
SCHEMBL1503080 0.79 KMT2A (0.51) KMT2ALIMK2ALDH1A1LMNAMAPT
SCHEMBL1503101 0.78 KMT2A (0.49) KMT2ALIMK2ALDH1A1LMNAMAPT
SCHEMBL2186915 0.72 LMNA (0.57) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL19755567 0.69 LMNA (0.50) KMT2AALDH1A1LMNAMAPTTDP1
SCHEMBL8775174 0.68 KMT2A (0.61) KMT2AALDH1A1MAPTHPGDMEN1
SCHEMBL82039 0.66 PTPN1 (0.46) NPSR1ALDH1A1LMNAMAPTTDP1
SCHEMBL2219295 0.65 HDAC6 (0.42) KMT2AMAPT
SCHEMBL5645455 0.65 NSD2 (0.67) KMT2ALIMK2TDP1MEN1

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 7 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
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP claimed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO 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
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP 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 KMT2A 1953/4885LIMK2 944/4885NPSR1 3392/4885

“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.