SCHEMBL4369170

SCHEMBL4369170

CNc1cc(Oc2ccc(O)c([N+](=O)[O-])c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
GPR35 Q9HC97 1/20 0.41
KDR P35968 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.39
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 3/20 0.38

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
SCHEMBL1581489 0.80 GPR35 (0.60) ALDH1A1HPGDSMN1; SMN2MAPK1TP53
SCHEMBL4365660 0.79 KDR (0.44) ALDH1A1HPGDSMN1; SMN2MAPK1TP53
SCHEMBL13788542 0.78 HTT (0.56) GCKHTTMAPTLMNAMEN1
SCHEMBL4373826 0.78 AURKB (0.43) ALDH1A1HPGDSMN1; SMN2MAPK1TP53
SCHEMBL4365096 0.77 L3MBTL1 (0.43) ALDH1A1HPGDSMN1; SMN2MAPK1TP53
SCHEMBL4326964 0.77 HCAR3 (0.44) ALDH1A1SMN1; SMN2MAPK1HTTMAPT
SCHEMBL4363033 0.77 ALDH1A1 (0.46) GCKALDH1A1SMN1; SMN2KDRALOX15
SCHEMBL4363640 0.76 GCK (0.51) GCKKDRMEN1KMT2ARIPK2
SCHEMBL4326186 0.76 MAPT (0.49) GCKALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL13559522 0.75 HCAR3 (0.45) ALDH1A1SMN1; SMN2MAPK1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 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 (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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS GCK 953/4885ALDH1A1 255/4885HPGD 4/4885

“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.