SCHEMBL1503234

SCHEMBL1503234

NC(=O)c1cnc(C(=O)N(Cc2ccc3c(c2)OCO3)OCc2ccccc2)c(OCc2ccccc2)c1CO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 3/20 0.38
MAOB P27338 1/20 0.38
MAPK8 P45983 1/20 0.37
USP2 O75604 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
AURKA O14965 2/20 0.36
RPS6KB1 P23443 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
AURKB Q96GD4 1/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27926498 0.75 PARP10 (0.43) HPGDKDM4E
SCHEMBL12516697 0.74 PKM (0.51) TSHRALDH1A1HPGDNPC1RAB9A
SCHEMBL1503287 0.73 MAPK8 (0.41) TSHRALDH1A1HPGDMAPTMAPK8
SCHEMBL2220375 0.70 KMT2A (0.46) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL1503236 0.69 HPGD (0.41) TSHRALDH1A1HPGDMAPTMAOB
SCHEMBL12444294 0.67 P4HTM (0.44) ALDH1A1HPGDKDM4E
SCHEMBL9017424 0.66 MAOB (0.47) TSHRALDH1A1HPGDMAPTMAOB
SCHEMBL1503216 0.64 PARP10 (0.43) MAPTTDP1KDM4E
SCHEMBL6944322 0.61 MAOB (0.53) TSHRALDH1A1HPGDMAPTMAOB
SCHEMBL1503118 0.61 PARP10 (0.44) ALDH1A1HPGDKDM4E

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 TSHR 3819/4885ALDH1A1 334/4885HPGD 442/4885

“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.