SCHEMBL3352543

SCHEMBL3352543

Cc1nc2cc(OCCN(C)C)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.45
IGF1R P08069 4/20 0.40
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35

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
SCHEMBL3357575 0.97 HDAC1 (0.44) HDAC1IGF1REGFRERBB2AKT1
SCHEMBL198043 0.96 HDAC1 (0.43) HDAC1IGF1REGFRERBB2HDAC3
SCHEMBL3353147 0.93 HDAC1 (0.45) HDAC1HDAC3HDAC2HDAC10AKT1
SCHEMBL3351761 0.90 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC10AKT1
SCHEMBL3353643 0.89 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC10
SCHEMBL3352649 0.89 HDAC6 (0.37) HDAC1IGF1RHDAC3HDAC2AKT1
SCHEMBL197347 0.88 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC10AKT1
SCHEMBL3352809 0.88 HDAC1 (0.49) HDAC1HDAC3HDAC2
SCHEMBL656720 0.87 HDAC1 (0.51) HDAC1IGF1REGFRERBB2
SCHEMBL3357192 0.87 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC10NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885IGF1R 1912/4885EGFR 2423/4885

“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.