SCHEMBL833459

SCHEMBL833459

COC(=O)C=Cc1ccc(NCCN(C(C)C)C(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
ALDH1A1 P00352 7/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HCAR3 P49019 2/20 0.43
PKM P14618 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
TTR P02766 1/20 0.41
APP P05067 1/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PTGER4 P35408 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
JAK2 O60674 1/20 0.40
GAA P10253 1/20 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
SCHEMBL833458 1.00 MAPT (0.43) MAPTALDH1A1MAPK1RECQLTDP1
SCHEMBL834052 0.88 ALDH1A1 (0.57) MAPTALDH1A1MAPK1RECQLTDP1
SCHEMBL834053 0.88 ALDH1A1 (0.57) MAPTALDH1A1MAPK1RECQLTDP1
SCHEMBL831430 0.86 HDAC6 (0.51) MAPTALDH1A1MAPK1RECQLTDP1
SCHEMBL29674921 0.86 HDAC6 (0.51) MAPTALDH1A1MAPK1RECQLTDP1
SCHEMBL831429 0.86 HDAC6 (0.51) MAPTALDH1A1MAPK1RECQLTDP1
SCHEMBL831352 0.85 MAPT (0.45) MAPTALDH1A1MAPK1RECQLTDP1
SCHEMBL831351 0.85 MAPT (0.45) MAPTALDH1A1MAPK1RECQLTDP1
SCHEMBL833039 0.85 ALDH1A1 (0.50) MAPTALDH1A1MAPK1RECQLTDP1
SCHEMBL833038 0.85 ALDH1A1 (0.50) MAPTALDH1A1MAPK1RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131840-B1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT MEI PHARMA INC (US) 2018-10-17 EP disclosed
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
EP-1937650-B1 HETEROCYCLIC COMPOUNDS S BIO PTE LTD (SG) 2011-06-15 EP disclosed
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S'BIO PTE LTD (SG) 2010-04-22 US disclosed
EP-2131840-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S*Bio Pte Ltd (SG) 2009-12-16 EP disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US disclosed
WO-2008108741-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S*BIO PTE LTD (SG) 2008-09-12 WO disclosed
EP-1937650-A1 HETEROCYCLIC COMPOUNDS S*Bio Pte Ltd (SG) 2008-07-02 EP disclosed
WO-2007030080-A1 HETEROCYCLIC COMPOUNDS S*BIO PTE LTD (SG) 2007-03-15 WO 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 (2 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-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 MAPT 2877/4885ALDH1A1 343/4885MAPK1 1995/4885
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 MAPT 4632/4885ALDH1A1 265/4885MAPK1 4685/4885

“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.