SCHEMBL198176

SCHEMBL198176

COc1ccn2c(-c3csc(C4(c5ccc(C(=O)NO)cc5)CCOCC4)n3)c(C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 8/20 0.39
KCNH2 Q12809 1/20 0.38
F2 P00734 1/20 0.37
HDAC1 Q13547 4/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL3351660 0.94 HDAC1 (0.39) HDAC1HDAC7HDAC8HDAC3HDAC2
SCHEMBL3350415 0.93 HDAC1 (0.39) HDAC1HDAC7HDAC8HDAC3HDAC2
SCHEMBL197595 0.92 KCNH2 (0.38) F2RL3KCNH2F2HDAC1HDAC7
SCHEMBL197698 0.91 AKT1 (0.40) F2RL3KCNH2F2HDAC1HDAC7
SCHEMBL197875 0.90 F2RL3 (0.39) F2RL3KCNH2F2HDAC1HDAC7
SCHEMBL196935 0.89 KCNH2 (0.40) F2RL3KCNH2HDAC1HDAC7HDAC8
SCHEMBL196936 0.89 HDAC1 (0.42) KCNH2HDAC1HDAC7HDAC8HDAC3
SCHEMBL198159 0.88 F2RL3 (0.37) F2RL3KCNH2F2HDAC1HDAC7
SCHEMBL197185 0.88 F2RL3 (0.39) F2RL3KCNH2F2L3MBTL1KDM4E
SCHEMBL196494 0.88 HDAC1 (0.41) HDAC1HDAC8HDAC3HDAC2HDAC6

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 F2RL3 2800/4885KCNH2 4061/4885F2 4813/4885

“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.