SCHEMBL4314957

SCHEMBL4314957

COc1c(OCC(=O)N2CCOCC2)ccc(/C=C/c2n[nH]c3ccccc23)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.42
HTT P42858 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 2/20 0.42
MITF O75030 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
KLK7 P49862 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL4314967 1.00 ALDH1A1 (0.42) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL4314012 0.91 TP53 (0.42) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL4314023 0.91 TP53 (0.42) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL4320490 0.87 ALDH1A1 (0.45) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL4320503 0.87 ALDH1A1 (0.45) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL4327254 0.87 NPC1 (0.39) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL4327259 0.87 NPC1 (0.39) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL4327247 0.87 NPC1 (0.39) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL4309124 0.85 MAPT (0.45) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL4309120 0.85 MAPT (0.45) ALDH1A1MAPTHTTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605272-B2 IGF-1R inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-10-20 US disclosed
US-20090054508-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1847532-A1 IGF-1R INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20090054508-A1 IGF-1R INHIBITOR IGF1R, IGFBP5, IGFBP1 ALDH1A1 1250/4885MAPT 4175/4885HTT 1252/4885

“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.