SCHEMBL831430

SCHEMBL831430

CCN(CC)CCNc1ccc(C=CC(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
HDAC1 Q13547 1/20 0.47
MAPT P10636 10/20 0.45
TOP2A P11388 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HCAR3 P49019 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 2/20 0.44
RAB9A P51151 2/20 0.43
PTGER4 P35408 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL29674921 1.00 HDAC6 (0.51) HDAC6HDAC1MAPTTOP2AMEN1
SCHEMBL831429 1.00 HDAC6 (0.51) HDAC6HDAC1MAPTTOP2AMEN1
SCHEMBL834052 0.89 ALDH1A1 (0.57) MAPTTOP2AMEN1CYP2C19KMT2A
SCHEMBL22410559 0.89 HDAC6 (0.53) HDAC6HDAC1MAPTALDH1A1MAPK1
SCHEMBL834053 0.89 ALDH1A1 (0.57) MAPTTOP2AMEN1CYP2C19KMT2A
SCHEMBL833458 0.86 MAPT (0.43) MAPTMEN1CYP2C19KMT2AALDH1A1
SCHEMBL833459 0.86 MAPT (0.43) MAPTMEN1CYP2C19KMT2AALDH1A1
SCHEMBL833038 0.85 ALDH1A1 (0.50) MAPTMEN1CYP2C19KMT2AALDH1A1
SCHEMBL833039 0.85 ALDH1A1 (0.50) MAPTMEN1CYP2C19KMT2AALDH1A1
SCHEMBL832010 0.85 MAPT (0.46) MAPTMEN1CYP2C19KMT2AALDH1A1

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 HDAC6 10/4885HDAC1 1/4885MAPT 2877/4885
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 HDAC6 10/4885HDAC1 47/4885MAPT 4632/4885

“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.