SCHEMBL12877516

SCHEMBL12877516

COC(=O)CC1Oc2cccc([N+](=O)[O-])c2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KLK7 P49862 1/20 0.36
ABCC4 O15439 1/20 0.36

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
SCHEMBL12862940 0.79 GPR35 (0.43) CHRNB4CHRNA3RAB9ANPC1ALDH1A1
SCHEMBL12862937 0.78 MAPT (0.43) NPSR1CHRNB4CHRNA3RAB9ALMNA
SCHEMBL12862959 0.77 ADRA2A (0.40) NPSR1CHRNB4CHRNA3RAB9ANPC1
SCHEMBL407103 0.76 ALDH1A1 (0.51) NPSR1ALDH1A1MAPTTSHRKDM4E
SCHEMBL12862958 0.76 CHRNB4 (0.42) CHRNB4CHRNA3RAB9ANPC1ALDH1A1
SCHEMBL31036664 0.75 ALDH1A1 (0.45) NPSR1RAB9ALMNAALDH1A1MAPT
SCHEMBL12862879 0.74 HTT (0.45) RAB9AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL28122841 0.74 CHRNB4 (0.42) CHRNB4CHRNA3RAB9ANPC1ALDH1A1
SCHEMBL12862943 0.74 CA2 (0.42) CHRNB4CHRNA3LMNANPC1ALDH1A1
SCHEMBL9273976 0.73 MAPT (0.42) CHRNB4CHRNA3RAB9AALDH1A1MAPT

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
US-7893259-B2 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-02-22 US disclosed
US-20090233923-A1 PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-7544682-B2 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-06-09 US disclosed
US-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-07-19 US 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 (2 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-20070167469-A1 Pyrido-pyrimidine derivatives, preparation thereof, and therapeutic use thereof DPYD, PNPO, TYMP NPSR1 1211/4885CHRNB4 3274/4885CHRNA3 2171/4885
US-20090233923-A1 PYRIDO-PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF DPYD, PNPO, TYMP NPSR1 1193/4885CHRNB4 3377/4885CHRNA3 2161/4885

“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.