SCHEMBL4450704

SCHEMBL4450704

CN(C(=O)OC(C)(C)C)c1cc(Oc2cccc(N)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.34
F10 P00742 1/20 0.34
MMP13 P45452 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GHSR Q92847 1/20 0.33
NPY5R Q15761 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32

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
SCHEMBL6543839 0.89 MAPT (0.40) ALDH1A1MAPTKDM4ELMNAMMP13
SCHEMBL6544430 0.89 MMP13 (0.42) ALDH1A1KDM4EATMMMP13SMN1; SMN2
SCHEMBL3487106 0.88 HSD17B1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27782513 0.87 SIRT5 (0.42) ALDH1A1MAPTKDM4ELMNAMMP13
SCHEMBL6543697 0.87 MAPT (0.38) ALDH1A1MAPTKDM4EATMMMP13
SCHEMBL4447092 0.87 TBXA2R (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6544022 0.86 ALOX5 (0.42) ALDH1A1KDM4EMMP13SMN1; SMN2NPY5R
SCHEMBL3488461 0.85 DHODH (0.38) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3487759 0.85 MAPT (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL27475420 0.85 TSHR (0.43) ALDH1A1MAPTKMT2ALMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-18 US disclosed
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-8263631-B2 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-09-11 US disclosed
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-01-29 US disclosed
EP-1982718-A1 ANTI-CANCER PHARMACEUTICAL COMPOSITION Daiichi Sankyo Company, Limited (JP) 2008-10-22 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 (4 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-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG RNASE1, MCL1, EWSR1 ALDH1A1 131/4885MAPT 4008/4885MEN1 104/4885
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 ALDH1A1 709/4885MAPT 4249/4885MEN1 2692/4885
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer EGFR, ERBB2, KDR ALDH1A1 2596/4885MAPT 4250/4885MEN1 645/4885
US-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 ALDH1A1 709/4885MAPT 4249/4885MEN1 2692/4885

“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.