SCHEMBL1503254

SCHEMBL1503254

O=C(NO)c1ncc(CNC2(c3ccc(F)cc3)CC2)c(CO)c1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.47
HDAC1 Q13547 19/20 0.47
HDAC2 Q92769 19/20 0.47
HDAC6 Q9UBN7 19/20 0.47
HSD17B13 Q7Z5P4 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL2219950 0.89 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6HSD17B13
SCHEMBL12515602 0.82 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6HSD17B13
SCHEMBL1503231 0.80 ALDH1A1 (0.42) HDAC3HDAC1HDAC2HDAC6
SCHEMBL12516709 0.79 HDAC1 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL30954811 0.79 MMP1 (0.39)
SCHEMBL1503250 0.79 MMP1 (0.39)
SCHEMBL2146957 0.78 HDAC6 (0.37) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1503203 0.77 L3MBTL1 (0.40) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1503241 0.77 HDAC1 (0.39) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1503238 0.77 HDAC1 (0.49) HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HDAC3 4086/4885HDAC1 2694/4885HDAC2 3145/4885

“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.