SCHEMBL4314012

SCHEMBL4314012

COc1c(OCC(=O)N2CCN(C)CC2)ccc(/C=C/c2n[nH]c3ccccc23)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
KDM4E B2RXH2 3/20 0.38
MAPK10 P53779 2/20 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
SCHEMBL4314023 1.00 TP53 (0.42) TP53MAPK1CASP1CASP7AURKA
SCHEMBL4314957 0.91 ALDH1A1 (0.42) MAPK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4314967 0.91 ALDH1A1 (0.42) MAPK1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4327254 0.88 NPC1 (0.39) TP53AURKAAURKBKMT2AMEN1
SCHEMBL4327259 0.88 NPC1 (0.39) TP53AURKAAURKBKMT2AMEN1
SCHEMBL4327247 0.88 NPC1 (0.39) TP53AURKAAURKBKMT2AMEN1
SCHEMBL4320803 0.87 TP53 (0.45) TP53MAPK1CASP1CASP7AURKA
SCHEMBL4320787 0.87 TP53 (0.45) TP53MAPK1CASP1CASP7AURKA
SCHEMBL4309124 0.86 MAPT (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL4309120 0.86 MAPT (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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 TP53 3470/4885MAPK1 295/4885CASP1 3168/4885

“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.