SCHEMBL3357560

SCHEMBL3357560

Cc1nc2cc(OCCN3CCOCC3)ccn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.41
KDM1A O60341 1/20 0.41
HDAC6 Q9UBN7 9/20 0.38
HDAC2 Q92769 8/20 0.38
HDAC8 Q9BY41 8/20 0.38
HDAC3 O15379 6/20 0.38
SIK2 Q9H0K1 4/20 0.38
SIK3 Q9Y2K2 4/20 0.38
ROCK1 Q13464 2/20 0.38
CSF1R P07333 2/20 0.38
ROCK2 O75116 1/20 0.38
HDAC10 Q969S8 1/20 0.38
SIK1 P57059 2/20 0.37
JAK2 O60674 1/20 0.37
BRD4 O60885 1/20 0.37
RET P07949 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
FLT3 P36888 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL3350389 0.97 HDAC1 (0.42) HDAC1KDM1AHDAC6HDAC2HDAC8
SCHEMBL196494 0.97 HDAC1 (0.41) HDAC1KDM1AHDAC6HDAC2HDAC8
SCHEMBL3352038 0.90 HDAC1 (0.48) HDAC1HDAC2HDAC3CSF1RBRD4
SCHEMBL3356894 0.89 AKT1 (0.37) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL197595 0.88 KCNH2 (0.38) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL3352809 0.87 HDAC1 (0.49) HDAC1HDAC2HDAC3ROCK1CSF1R
SCHEMBL3352933 0.87 POLB (0.43) HDAC1HDAC6HDAC2HDAC8ALDH1A1
SCHEMBL197641 0.87 HDAC1 (0.48) HDAC1HDAC2HDAC3CSF1RBRD4
SCHEMBL3352234 0.87 HDAC6 (0.36) HDAC1HDAC6HDAC2HDAC8HDAC3
SCHEMBL198159 0.86 F2RL3 (0.37) HDAC1HDAC6HDAC2HDAC8HDAC3

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 1/4885KDM1A 122/4885HDAC6 7/4885

“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.