SCHEMBL3357575

SCHEMBL3357575

Cc1nc2cc(OCCN(C)C)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.44
IGF1R P08069 4/20 0.39
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
BRD4 O60885 1/20 0.36
JAK1 P23458 1/20 0.36
EGFR P00533 2/20 0.35
ERBB2 P04626 2/20 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
SCHEMBL3352543 0.97 HDAC1 (0.45) HDAC1IGF1RAKT1AKT2EGFR
SCHEMBL198043 0.94 HDAC1 (0.43) HDAC1IGF1REGFRERBB2
SCHEMBL3351761 0.93 HDAC1 (0.44) HDAC1AKT1AKT2BRD4JAK1
SCHEMBL3353147 0.90 HDAC1 (0.45) HDAC1AKT1AKT2BRD4JAK1
SCHEMBL3354346 0.89 HDAC1 (0.43) HDAC1AKT1AKT2
SCHEMBL3352234 0.89 HDAC6 (0.36) HDAC1IGF1RAKT1AKT2EGFR
SCHEMBL3352038 0.88 HDAC1 (0.48) HDAC1BRD4JAK1
SCHEMBL3357301 0.88 HDAC1 (0.43) HDAC1
SCHEMBL3352678 0.88 HDAC1 (0.45) HDAC1
SCHEMBL197347 0.87 HDAC1 (0.43) HDAC1AKT1AKT2

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 1912/4885AKT1 1338/4885

“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.