SCHEMBL830718

SCHEMBL830718

CCCC(=O)NC(CCN(CC)CC)c1nc2cc(C=CC(=O)NO)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.48
HDAC6 Q9UBN7 7/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
NCOR2 Q9Y618 1/20 0.47

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
SCHEMBL15669092 0.78 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL15668237 0.77 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL830717 0.70 HDAC1 (0.77) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL830716 0.70 HDAC1 (0.77) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL8291156 0.69 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL3370685 0.69 HDAC1 (0.52) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL8242516 0.68 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL8290498 0.68 HDAC1 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL8318780 0.68 HDAC1 (0.63) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL8320107 0.67 HDAC1 (0.66) HDAC1HDAC6HDAC8HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US claimed
EP-1937650-B1 HETEROCYCLIC COMPOUNDS S BIO PTE LTD (SG) 2011-06-15 EP claimed
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S'BIO PTE LTD (SG) 2010-04-22 US claimed
EP-2131840-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S*Bio Pte Ltd (SG) 2009-12-16 EP claimed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US claimed
WO-2008108741-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S*BIO PTE LTD (SG) 2008-09-12 WO claimed
EP-1937650-A1 HETEROCYCLIC COMPOUNDS S*Bio Pte Ltd (SG) 2008-07-02 EP claimed
WO-2007030080-A1 HETEROCYCLIC COMPOUNDS S*BIO PTE LTD (SG) 2007-03-15 WO claimed
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
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US 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 HDAC1 1/4885HDAC6 10/4885HDAC8 4/4885
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 HDAC1 47/4885HDAC6 10/4885HDAC8 7/4885

“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.