SCHEMBL1503214

SCHEMBL1503214

COCc1c(CNCc2ccc(F)cc2)cnc(C(=O)NO)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
CHEK1 O14757 1/20 0.35

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 0.87 HDAC1 (0.43) HDAC1HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL1503238 0.77 HDAC1 (0.49) HDAC1HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL2219295 0.76 HDAC6 (0.42) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL1503203 0.76 L3MBTL1 (0.40) HDAC1HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL1503286 0.76 HDAC1 (0.38) HDAC1HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL1503229 0.74 MAPT (0.46) ALDH1A1KDM4EMAPK1LMNAOXTR
SCHEMBL2146957 0.74 HDAC6 (0.37) HDAC1HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL1503276 0.73 AR (0.40) HDAC1HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL2146742 0.73 EGLN1 (0.43) HDAC1HDAC2HDAC8ALDH1A1KDM4E
SCHEMBL1503195 0.73 HCAR2 (0.36) HDAC1HDAC2HDAC8HDAC3HDAC6

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-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
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
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

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 2694/4885HDAC2 3145/4885HDAC8 3897/4885

“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.