SCHEMBL3650382

SCHEMBL3650382

O=C(O)C(=CC=Cc1ccc2c(c1)OCO2)[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.58
CYP1A2 P05177 2/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MTOR P42345 1/20 0.57
VCP P55072 1/20 0.57
PTPN1 P18031 1/20 0.52
HDAC6 Q9UBN7 2/20 0.51
MAOB P27338 5/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
MCL1 Q07820 1/20 0.50
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL1613583 0.84 NPC1 (0.55) HSD17B10CYP1A2NPC1RAB9AMTOR
SCHEMBL22164179 0.81 HSD17B10 (0.67) HSD17B10CYP1A2NPC1RAB9AHDAC6
SCHEMBL28908027 0.81 HSD17B10 (0.67) HSD17B10CYP1A2NPC1RAB9AHDAC6
Hydrochloric Acid SCHEMBL28641311 0.80 HSD17B10 (0.65) HSD17B10CYP1A2NPC1RAB9AHDAC6
SCHEMBL27738406 0.79 CYP1A2 (0.63) HSD17B10CYP1A2NPC1RAB9AHDAC6
SCHEMBL10333352 0.79 HSD17B10 (0.63) HSD17B10CYP1A2NPC1RAB9AHDAC6
SCHEMBL10333351 0.79 HSD17B10 (0.63) HSD17B10CYP1A2NPC1RAB9AHDAC6
SCHEMBL28999908 0.76 HSD17B10 (0.63) HSD17B10CYP1A2NPC1RAB9AHDAC6
SCHEMBL9361490 0.75 MAOB (0.71) HSD17B10CYP1A2HDAC6MAOBMAPT
SCHEMBL28962300 0.75 CYP1A2 (0.59) HSD17B10CYP1A2NPC1RAB9AHDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190824-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-06-02 EP disclosed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A HSD17B10 3281/4885CYP1A2 2520/4885NPC1 855/4885

“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.