SCHEMBL1503238

SCHEMBL1503238

O=C(NO)c1ncc(CNCCc2ccc(F)cc2)c(CO)c1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.49
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 3/20 0.42
SLC6A5 Q9Y345 1/20 0.41
TRPV6 Q9H1D0 1/20 0.40
CHEK1 O14757 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MPO P05164 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL12516709 0.90 HDAC1 (0.43) HDAC1KDM4EALDH1A1KMT2AHDAC3
SCHEMBL2221780 0.89 KDM4E (0.47) HDAC1KDM4EALDH1A1KMT2ASLC6A5
SCHEMBL1503241 0.88 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC8
SCHEMBL1503138 0.86 KMT2A (0.48) HDAC1KDM4EALDH1A1KMT2ASLC6A5
SCHEMBL2146957 0.84 HDAC6 (0.37) HDAC1KDM4EALDH1A1KMT2AHDAC3
SCHEMBL1503195 0.83 HCAR2 (0.36) HDAC1KMT2AHDAC3HDAC2HDAC8
SCHEMBL12516306 0.82 NPC1 (0.44) HDAC1ALDH1A1
SCHEMBL1503231 0.82 ALDH1A1 (0.42) HDAC1KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL27833103 0.81 KDM4E (0.46) HDAC1KDM4EALDH1A1KMT2ASLC6A5
SCHEMBL1503203 0.81 L3MBTL1 (0.40) HDAC1KDM4EALDH1A1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC1 2694/4885KDM4E 1182/4885ALDH1A1 334/4885

“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.