SCHEMBL3352038

SCHEMBL3352038

Cc1nc2cc(OCCN3CCOCC3)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.48
BRD4 O60885 1/20 0.42
JAK1 P23458 1/20 0.42
CSF1R P07333 3/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL3352809 0.98 HDAC1 (0.49) HDAC1BRD4JAK1CSF1RMEN1
SCHEMBL197641 0.97 HDAC1 (0.48) HDAC1BRD4JAK1CSF1RMEN1
SCHEMBL3351761 0.90 HDAC1 (0.44) HDAC1BRD4JAK1HDAC3HDAC2
SCHEMBL3357560 0.90 HDAC1 (0.41) HDAC1BRD4JAK1CSF1RHDAC3
SCHEMBL197347 0.90 HDAC1 (0.43) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL3356058 0.89 MAPK14 (0.42) HDAC1MAPK14
SCHEMBL3357575 0.88 HDAC1 (0.44) HDAC1BRD4JAK1
SCHEMBL198043 0.88 HDAC1 (0.43) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL3353147 0.87 HDAC1 (0.45) HDAC1BRD4JAK1HDAC3HDAC2
SCHEMBL3350389 0.87 HDAC1 (0.42) HDAC1CSF1RHDAC3HDAC2

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 1/4885BRD4 45/4885JAK1 3945/4885

“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.