SCHEMBL1503148

SCHEMBL1503148

COC(=O)c1ncc(NC(=O)Nc2ccc(F)cc2)c2c1OC(C)(C)OC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 6/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 4/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
PKM P14618 1/20 0.43
MAPK14 Q16539 4/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL1503232 0.89 CCNA2 (0.36) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL1503137 0.87 CYP1A2 (0.44) RAB9ANPC1MAPTKMT2AHTT
SCHEMBL1503192 0.81 ALDH1A1 (0.40) RAB9ANPC1MAPTKMT2AMAPK1
SCHEMBL2146752 0.78 HSD11B1 (0.35) MAPTKMT2AMAPK1LMNAKDM4E
SCHEMBL2147314 0.78 ALDH1A1 (0.41) RAB9ANPC1MAPTKMT2AMAPK1
SCHEMBL1503189 0.77 KMT2A (0.40) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL30193078 0.77 KMT2A (0.40) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL2146827 0.76 HSD11B1 (0.34) MAPTKMT2AMAPK1LMNAKDM4E
SCHEMBL1503245 0.75 KMT2A (0.43) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL12444456 0.74 MAPT (0.47) MAPTKMT2AMEN1MAPK1SMN1; SMN2

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 7 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-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 RAB9A 3692/4885NPC1 3046/4885MAPT 2577/4885

“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.