SCHEMBL4327247

SCHEMBL4327247

COc1c(OCC(=O)N2CC[C@@H](O)C2)ccc(/C=C/c2n[nH]c3ccccc23)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
AURKA O14965 2/20 0.35
AURKB Q96GD4 2/20 0.35
BMPR1B O00238 1/20 0.35
PLK4 O00444 1/20 0.35
STK25 O00506 1/20 0.35

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
SCHEMBL4327259 1.00 NPC1 (0.39) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL4327254 1.00 NPC1 (0.39) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL4316532 0.88 KDM4E (0.43) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL4316556 0.88 KDM4E (0.43) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL4314023 0.88 TP53 (0.42) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL4316548 0.88 KDM4E (0.43) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL4314012 0.88 TP53 (0.42) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL4314967 0.87 ALDH1A1 (0.42) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL4314957 0.87 ALDH1A1 (0.42) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL4309120 0.83 MAPT (0.45) NPC1RAB9AKDM4EMEN1KMT2A

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 NPC1 2575/4885RAB9A 2711/4885KDM4E 1251/4885

“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.