SCHEMBL1503119

SCHEMBL1503119

O=C(NCc1ccc2c(c1)OCO2)c1cnc(C(=O)NO)c(O)c1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PKM P14618 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 5/20 0.50
MAPK1 P28482 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
MMP13 P45452 1/20 0.49
TP53 P04637 1/20 0.48
CRHBP P24387 1/20 0.48
RECQL P46063 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL2219957 0.85 HDAC1 (0.54) HDAC3HDAC1HDAC2HDAC6HPGD
SCHEMBL1503197 0.81 HDAC1 (0.46) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL27908402 0.81 MET (0.43) HDAC3HDAC1HDAC2HDAC6MMP13
SCHEMBL12515769 0.80 HDAC1 (0.51) POLBHDAC1HDAC6SMN1; SMN2HPGD
SCHEMBL1503149 0.80 KMT2A (0.48) HDAC1HDAC6SMN1; SMN2HPGDHTT
SCHEMBL12516286 0.80 HPGD (0.50) HDAC3HDAC1HDAC2HDAC6HPGD
SCHEMBL1503191 0.79 HDAC1 (0.52) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL12516706 0.78 MET (0.41) HDAC3HDAC1HDAC2HDAC6HPGD
SCHEMBL12515589 0.77 HDAC1 (0.53) POLBHDAC1HDAC2HDAC6PKM
SCHEMBL12516697 0.75 PKM (0.51) POLBPKMSMN1; SMN2HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102112447-B HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2013-06-26 CN 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
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 POLB 199/4885HDAC3 4086/4885HDAC1 2694/4885

“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.