SCHEMBL830818

SCHEMBL830818

CCCc1nc2cc(C=CC(=O)OC)ccc2n1CCN

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.67
HDAC8 Q9BY41 8/20 0.55
HDAC3 O15379 7/20 0.55
HDAC2 Q92769 7/20 0.55
HDAC6 Q9UBN7 7/20 0.55
HDAC4 P56524 6/20 0.55
HDAC7 Q8WUI4 6/20 0.55
HDAC10 Q969S8 6/20 0.55
HDAC11 Q96DB2 6/20 0.55
HDAC9 Q9UKV0 6/20 0.55
HDAC5 Q9UQL6 6/20 0.55
CYP3A4 P08684 3/20 0.53
CYP2C19 P33261 3/20 0.53
NCOR2 Q9Y618 1/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL830817 1.00 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL842304 0.84 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL831939 0.82 HDAC1 (0.80) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL831938 0.82 HDAC1 (0.80) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL842285 0.82 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL22071824 0.81 HDAC1 (0.80) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL833062 0.81 HDAC1 (0.65) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL833063 0.81 HDAC1 (0.65) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL3372032 0.80 HDAC1 (0.53) HDAC1HDAC8
SCHEMBL3372037 0.80 HDAC1 (0.53) HDAC1HDAC8

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 5 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 disclosed
EP-1937650-B1 HETEROCYCLIC COMPOUNDS S BIO PTE LTD (SG) 2011-06-15 EP 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 (1 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 1/4885HDAC8 4/4885HDAC3 2/4885

“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.