SCHEMBL830286

SCHEMBL830286

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KAT2B Q92831 3/20 0.48
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HCAR3 P49019 2/20 0.47
PKM P14618 1/20 0.46
UBE2N P61088 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
TTR P02766 1/20 0.45
APP P05067 1/20 0.45
MCL1 Q07820 1/20 0.45
PRSS1 P07477 1/20 0.44
PTGER4 P35408 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL830285 1.00 MAPT (0.53) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL833039 0.89 ALDH1A1 (0.50) MAPTALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL833038 0.89 ALDH1A1 (0.50) MAPTALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL832816 0.88 MAPT (0.50) MAPTALDH1A1KMT2ASMN1; SMN2KAT2B
SCHEMBL832815 0.88 MAPT (0.50) MAPTALDH1A1KMT2ASMN1; SMN2KAT2B
SCHEMBL866627 0.87 MAPT (0.47) MAPTALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL834052 0.86 ALDH1A1 (0.57) MAPTALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL832011 0.86 MAPT (0.46) MAPTALDH1A1KMT2AMAPK1RECQL
SCHEMBL834053 0.86 ALDH1A1 (0.57) MAPTALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL832010 0.86 MAPT (0.46) MAPTALDH1A1KMT2AMAPK1RECQL

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 343/4885KMT2A 161/4885
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 MAPT 4632/4885ALDH1A1 265/4885KMT2A 118/4885

“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.