SCHEMBL1503245

SCHEMBL1503245

COC(=O)c1ncc(CNCCc2ccc(F)cc2)c2c1OC(C)(C)OC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CHEK1 O14757 4/20 0.39
TRPV6 Q9H1D0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
HDAC1 Q13547 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
SCHEMBL2147314 0.86 ALDH1A1 (0.41) KMT2AALDH1A1MAPK1MAPT
SCHEMBL1503192 0.85 ALDH1A1 (0.40) KMT2AALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL30193078 0.82 KMT2A (0.40) KMT2AALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL1503189 0.82 KMT2A (0.40) KMT2AALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL12444456 0.79 MAPT (0.47) KMT2AALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL12398991 0.78 KMT2A (0.48) KMT2AALDH1A1KDM4EMAPK1MAPT
SCHEMBL1503210 0.78 PTPN1 (0.38) KMT2AALDH1A1MAPK1MEN1MAPT
SCHEMBL1503150 0.78 KMT2A (0.47) KMT2AALDH1A1MAPK1MAPT
SCHEMBL1503360 0.77 BCHE (0.36) KMT2AMAPK1MEN1
SCHEMBL12935668 0.76 KMT2A (0.42) KMT2AALDH1A1KDM4EMAPK1MEN1

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
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-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
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 KMT2A 1953/4885ALDH1A1 334/4885KDM4E 1182/4885

“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.