SCHEMBL1503165

SCHEMBL1503165

COC(=O)c1ncc(COc2ccc(F)c(Cl)c2)c(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 6/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 3/20 0.40
SCN5A Q14524 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
MAOB P27338 2/20 0.39
PPARG P37231 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOA P21397 1/20 0.37
S1PR4 O95977 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
LMNA P02545 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
SCHEMBL15746730 0.89 PPARG (0.43) MAPTNPC1SCN9ASCN5AMEN1
SCHEMBL1503136 0.88 SCN9A (0.42) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL2220322 0.87 ALDH1A1 (0.40) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL1503217 0.84 ALDH1A1 (0.43) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL1503102 0.83 MAOB (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1503300 0.80 ADAMTS4 (0.37) ALDH1A1MAPTSCN9ASCN5AMEN1
SCHEMBL1503299 0.77 SCN9A (0.36) ALDH1A1MAPTSCN9ASCN5AMEN1
SCHEMBL22738223 0.76 SCN9A (0.41) MAPTNPC1SCN9ASCN5AMAOB
SCHEMBL1503147 0.76 ALDH1A1 (0.39) ALDH1A1SCN9ASCN5AKMT2AMAOB
SCHEMBL1503267 0.75 HDAC1 (0.41) MAPTNPC1SCN9ASCN5AMAOB

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 15 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
CN-102112447-A HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2011-06-29 CN 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-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
CN-102112447-A HIV integrase inhibitors from pyridoxine AMBRILIA BIOPHARMA INC 2011-06-29 CN 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 ALDH1A1 334/4885MAPT 2577/4885NPC1 3046/4885

“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.