SCHEMBL3352680

SCHEMBL3352680

Cc1nc2c(F)cccn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CCCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
GUCY1B2 O75343 3/20 0.33
GUCY1A2 P33402 3/20 0.33
GUCY1A1 Q02108 3/20 0.33
GUCY1B1 Q02153 3/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL3348806 0.96 HDAC6 (0.38) HDAC1HDAC6HDAC4HDAC7HDAC8
SCHEMBL197744 0.92 KCNH2 (0.38) HDAC1HDAC6HDAC4HDAC7HDAC8
SCHEMBL3355558 0.89 HDAC1 (0.43) HDAC1HDAC6HDAC4HDAC7HDAC8
SCHEMBL3357638 0.86 HDAC1 (0.44) HDAC1HDAC6HDAC4HDAC7HDAC8
SCHEMBL3356335 0.86 CDK2 (0.46) HDAC1HDAC6HDAC4HDAC7HDAC8
SCHEMBL198444 0.82 HDAC1 (0.42) HDAC1HDAC6HDAC4HDAC7HDAC8
SCHEMBL197109 0.82 CDK2 (0.47) HDAC1HDAC6HDAC4HDAC7HDAC8
SCHEMBL3352823 0.80 AKT1 (0.37) HDAC1HDAC6HDAC4HDAC7HDAC8
SCHEMBL3356136 0.80 AKT1 (0.43) HDAC1HDAC6HDAC4HDAC7HDAC8
SCHEMBL3355103 0.80 AKT1 (0.36) HDAC1HDAC6HDAC4HDAC7HDAC8

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 1/4885HDAC6 7/4885HDAC4 10/4885

“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.