SCHEMBL1503227

SCHEMBL1503227

Cc1c(COCc2ccccc2)cnc(C(=O)NO)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.40
SMPD1 P17405 3/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1503276 0.88 AR (0.40) HDAC6HDAC1HDAC8L3MBTL1HDAC3
SCHEMBL15746681 0.87 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2MAPTTDP1CYP2C9
SCHEMBL1503088 0.85 HDAC6 (0.40) HDAC6SMPD1HDAC1HDAC8L3MBTL1
SCHEMBL1503249 0.83 MAOB (0.39) HDAC6HDAC1SMN1; SMN2HDAC3HDAC2
SCHEMBL12444361 0.79 ALDH1A1 (0.37) HDAC6HDAC1HDAC8L3MBTL1SMN1; SMN2
SCHEMBL1503258 0.76 EGFR (0.41) HDAC6HDAC1HDAC8HDAC3ALDH1A1
SCHEMBL1503263 0.76 MMP1 (0.44) MAPTCYP2C9CYP2C19ALDH1A1NPC1
SCHEMBL22283896 0.76 EGLN1 (0.47) HDAC6SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL12444334 0.75 EGLN1 (0.41) HDAC6L3MBTL1SMN1; SMN2MAPTCYP2C9
SCHEMBL2219007 0.74 SMPD1 (0.44) HDAC6SMPD1HDAC1HDAC8L3MBTL1

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 HDAC6 4827/4885SMPD1 2235/4885HDAC1 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.