SCHEMBL2219295

SCHEMBL2219295

COCc1c(C(=O)N(C)Cc2ccc(F)cc2)cnc(C(=O)NO)c1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.42
HDAC3 O15379 3/20 0.42
HSP90AA1 P07900 4/20 0.40
HDAC1 Q13547 3/20 0.39
KMT2A Q03164 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RIPK1 Q13546 1/20 0.37
NSD2 O96028 1/20 0.37
RAB9A P51151 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL1503129 0.78 RIPK1 (0.35) HSP90AA1KMT2ARIPK1RAB9AMAPT
SCHEMBL1503168 0.77 KMT2A (0.49) HDAC6HDAC3KMT2AHDAC4MAPT
SCHEMBL1503214 0.76 HDAC1 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2218209 0.75 KMT2A (0.52) KMT2AL3MBTL1MAPT
SCHEMBL1503246 0.72 EGFR (0.36) HDAC6HDAC3HDAC1HDAC2HDAC11
SCHEMBL1503101 0.71 KMT2A (0.49) KMT2AL3MBTL1MAPT
SCHEMBL1503203 0.69 L3MBTL1 (0.40) HDAC6HDAC3HDAC1KMT2AHDAC7
SCHEMBL1503149 0.69 KMT2A (0.48) HDAC6HDAC1KMT2AL3MBTL1RAB9A
SCHEMBL2216328 0.69 EGFR (0.41) HDAC6HDAC3HDAC1HDAC7HDAC10
SCHEMBL12516306 0.68 NPC1 (0.44) HDAC1RAB9AMAPT

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
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US 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 HDAC6 4827/4885HDAC3 4086/4885HSP90AA1 4730/4885

“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.