SCHEMBL196494

SCHEMBL196494

Cc1nc2cc(OCCN3CCOCC3)ccn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.41
KDM1A O60341 1/20 0.41
HDAC2 Q92769 7/20 0.39
HDAC6 Q9UBN7 7/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC3 O15379 5/20 0.39
ROCK1 Q13464 2/20 0.39
ROCK2 O75116 1/20 0.39
SIK2 Q9H0K1 4/20 0.38
SIK3 Q9Y2K2 4/20 0.38
CSF1R P07333 2/20 0.38
HDAC10 Q969S8 1/20 0.38
SIK1 P57059 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
AURKB Q96GD4 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FLT3 P36888 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
SCHEMBL3350389 0.98 HDAC1 (0.42) HDAC1KDM1AHDAC2HDAC6HDAC8
SCHEMBL3357560 0.97 HDAC1 (0.41) HDAC1KDM1AHDAC2HDAC6HDAC8
SCHEMBL197595 0.92 KCNH2 (0.38) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL197641 0.90 HDAC1 (0.48) HDAC1HDAC2HDAC3CSF1R
SCHEMBL198159 0.90 F2RL3 (0.37) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL3352809 0.88 HDAC1 (0.49) HDAC1HDAC2HDAC3ROCK1CSF1R
SCHEMBL198176 0.88 F2RL3 (0.39) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL196470 0.87 POLB (0.43) HDAC1HDAC2HDAC6HDAC8ALDH1A1
SCHEMBL3352038 0.87 HDAC1 (0.48) HDAC1HDAC2HDAC3CSF1R
SCHEMBL3352248 0.86 AKT1 (0.36) HDAC1HDAC6HDAC8ROCK1ROCK2

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-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 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 122/4885HDAC2 3/4885

“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.