SCHEMBL1503207

SCHEMBL1503207

O=C(Nc1ccc(F)cc1)Nc1cnc(C(=O)NO)c(O)c1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.46
EGLN1 Q9GZT9 2/20 0.46
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
HTT P42858 3/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL15746727 0.88 EGLN2 (0.45) EGLN2EGLN1RAB9ASMN1; SMN2NPC1
SCHEMBL1503107 0.86 MEN1 (0.44) EGLN2RAB9ASMN1; SMN2NPC1HTT
SCHEMBL1503209 0.85 RAB9A (0.50) EGLN2EGLN1RAB9ASMN1; SMN2NPC1
SCHEMBL1503231 0.78 ALDH1A1 (0.42) EGLN2EGLN1POLBKMT2AMEN1
SCHEMBL15746683 0.75 KDM4E (0.50) EGLN2RAB9ASMN1; SMN2NPC1HTT
SCHEMBL2146957 0.75 HDAC6 (0.37) EGLN2EGLN1RAB9ASMN1; SMN2NPC1
SCHEMBL1503250 0.74 MMP1 (0.39) EGLN1KMT2AMEN1
SCHEMBL2161375 0.74 HDAC6 (0.41) EGLN2EGLN1MAPTHDAC3HDAC1
SCHEMBL30954811 0.74 MMP1 (0.39) EGLN1KMT2AMEN1
SCHEMBL1503241 0.74 HDAC1 (0.39) EGLN2EGLN1RAB9ANPC1HDAC3

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 11 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
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-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
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 EGLN2 3135/4885EGLN1 3287/4885RAB9A 3692/4885

“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.