SCHEMBL197595

SCHEMBL197595

COCCOc1ccn2c(-c3csc(C4(c5ccc(C(=O)NO)cc5)CCOCC4)n3)c(C)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
F2RL3 Q96RI0 8/20 0.37
F2 P00734 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
ADAM17 P78536 1/20 0.34
ADAMTS1 Q9UHI8 1/20 0.34
ADAMTS5 Q9UNA0 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
SCHEMBL3352248 0.95 AKT1 (0.36) KCNH2HDAC1HDAC7HDAC8HDAC4
SCHEMBL3356894 0.93 AKT1 (0.37) HDAC1HDAC7HDAC8HDAC4HDAC6
SCHEMBL198159 0.92 F2RL3 (0.37) KCNH2F2RL3F2HDAC1HDAC7
SCHEMBL198176 0.92 F2RL3 (0.39) KCNH2F2RL3F2HDAC1HDAC7
SCHEMBL196494 0.92 HDAC1 (0.41) HDAC1HDAC8HDAC6ALDH1A1HDAC3
SCHEMBL197347 0.89 HDAC1 (0.43) KCNH2HDAC1HDAC7HDAC8HDAC4
SCHEMBL3350389 0.89 HDAC1 (0.42) HDAC1HDAC8HDAC6ALDH1A1HDAC3
SCHEMBL198898 0.89 F2RL3 (0.37) KCNH2F2RL3F2HDAC1HDAC7
SCHEMBL3357560 0.88 HDAC1 (0.41) HDAC1HDAC8HDAC6ALDH1A1HDAC3
SCHEMBL199093 0.88 NPC1 (0.40) KCNH2F2RL3F2HDAC1HDAC7

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 KCNH2 4061/4885F2RL3 2800/4885F2 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.