SCHEMBL1503236

SCHEMBL1503236

NC(=O)c1c(Cc2ccc3c(c2)OCO3)nc(C(=O)NOCc2ccccc2)c(OCc2ccccc2)c1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
IGFBP3 P17936 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAOB P27338 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
NSD2 O96028 1/20 0.37
RAD52 P43351 1/20 0.37
DUSP3 P51452 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
SCHEMBL2220375 0.78 KMT2A (0.46) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL12516697 0.78 PKM (0.51) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL2219513 0.75 IGFBP3 (0.42) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL2220214 0.69 NPC1 (0.48) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL1503234 0.69 TSHR (0.39) HPGDALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6944322 0.67 MAOB (0.53) HPGDALDH1A1MAPTKMT2ALMNA
SCHEMBL6945047 0.66 MAOB (0.54) HPGDALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL12516485 0.64 SGMS2 (0.49) HPGDMAPTMEN1KMT2AGAA
SCHEMBL2220527 0.63 LMNA (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1503118 0.63 PARP10 (0.44) HPGDALDH1A1KDM4ELMNAL3MBTL1

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 HPGD 442/4885ALDH1A1 334/4885MAPT 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.