SCHEMBL1503229

SCHEMBL1503229

COC(=O)c1ncc(CNCc2ccc(F)cc2)c(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.40
CHEK1 O14757 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39

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
SCHEMBL27833082 0.88 KDM4E (0.48) KDM4EALDH1A1LMNAMAPK1SCN8A
SCHEMBL2146828 0.88 MAPT (0.44) MAPTKDM4EALDH1A1LMNANPC1
SCHEMBL13577612 0.86 MAPK1 (0.41) MAPTKDM4EALDH1A1LMNANPC1
SCHEMBL1503217 0.81 ALDH1A1 (0.43) MAPTKDM4EALDH1A1LMNANPC1
SCHEMBL1503138 0.79 KMT2A (0.48) MAPTKDM4EALDH1A1KMT2ACHEK1
SCHEMBL12444333 0.75 PDXK (0.46) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL1503214 0.74 HDAC1 (0.41) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL2146742 0.73 EGLN1 (0.43) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL185028 0.72 MEN1 (0.61) MAPTKDM4ELMNANPC1RAB9A
SCHEMBL28791542 0.71 AR (0.42) KDM4ELMNA

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 12 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
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
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 MAPT 2577/4885KDM4E 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.