SCHEMBL197802

SCHEMBL197802

Cc1nc2ccc(Br)cn2c1-c1csc(C2(c3ccc(C(=O)NO)cc3)CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC2 Q92769 2/20 0.39
KCNH2 Q12809 1/20 0.38
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
EPHB3 P54753 1/20 0.34
GAA P10253 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA4 P48169 1/20 0.34
F2RL3 Q96RI0 3/20 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
SCHEMBL3352449 0.94 HDAC1 (0.41) HDAC1HDAC7HDAC8HDAC3HDAC2
SCHEMBL3351453 0.92 HDAC1 (0.40) HDAC1HDAC7HDAC8AKT1AKT2
SCHEMBL196886 0.91 KCNH2 (0.39) HDAC1HDAC7HDAC8HDAC3HDAC2
SCHEMBL199623 0.89 KCNH2 (0.37) HDAC1HDAC7HDAC8HDAC3HDAC2
SCHEMBL197185 0.89 F2RL3 (0.39) KCNH2AKT1AKT2F2RL3
SCHEMBL197654 0.89 HDAC1 (0.55) HDAC1HDAC7HDAC8HDAC3HDAC2
SCHEMBL197443 0.87 CDK2 (0.44) HDAC1HDAC7HDAC8HDAC3HDAC2
SCHEMBL197529 0.86 MKNK1 (0.40) HDAC1HDAC7HDAC8KCNH2AKT1
SCHEMBL198898 0.86 F2RL3 (0.37) HDAC1HDAC7HDAC8KCNH2AKT1
SCHEMBL197808 0.86 AKT1 (0.45) HDAC1HDAC7HDAC8KCNH2AKT1

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 1/4885HDAC7 9/4885HDAC8 8/4885

“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.