SCHEMBL198159

SCHEMBL198159

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 7/20 0.37
F2 P00734 1/20 0.37
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 4/20 0.35
HDAC3 O15379 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 4/20 0.35
IGF1R P08069 3/20 0.34
ESR1 P03372 1/20 0.34
ADORA2A P29274 1/20 0.34
HDAC7 Q8WUI4 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33

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
SCHEMBL3352649 0.95 HDAC6 (0.37) HDAC1HDAC3HDAC2HDAC6IGF1R
SCHEMBL3352234 0.94 HDAC6 (0.36) HDAC1HDAC3HDAC2HDAC6IGF1R
SCHEMBL197595 0.92 KCNH2 (0.38) F2RL3F2KCNH2HDAC1HDAC3
SCHEMBL198043 0.90 HDAC1 (0.43) KCNH2HDAC1HDAC3HDAC2HDAC6
SCHEMBL196494 0.90 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL198176 0.88 F2RL3 (0.39) F2RL3F2KCNH2HDAC1HDAC3
SCHEMBL3350389 0.87 HDAC1 (0.42) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL3352248 0.87 AKT1 (0.36) KCNH2HDAC1HDAC6HDAC7HDAC8
SCHEMBL198044 0.86 KCNH2 (0.37) F2RL3F2KCNH2HDAC1HDAC3
SCHEMBL197571 0.86 KCNH2 (0.40) F2RL3F2KCNH2HDAC1HDAC6

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 2800/4885F2 4813/4885KCNH2 4061/4885

“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.