SCHEMBL198043

SCHEMBL198043

Cc1nc2cc(OCCN(C)C)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.43
IGF1R P08069 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.35
EGFR P00533 2/20 0.34
ERBB2 P04626 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL3352543 0.96 HDAC1 (0.45) HDAC1IGF1REGFRERBB2HDAC3
SCHEMBL3357575 0.94 HDAC1 (0.44) HDAC1IGF1REGFRERBB2
SCHEMBL197347 0.93 HDAC1 (0.43) HDAC1MEN1KMT2AKCNH2HDAC3
SCHEMBL197641 0.91 HDAC1 (0.48) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL196936 0.90 HDAC1 (0.42) HDAC1MEN1KMT2AKCNH2HDAC3
SCHEMBL198159 0.90 F2RL3 (0.37) HDAC1IGF1RKCNH2HDAC3HDAC4
SCHEMBL3352809 0.89 HDAC1 (0.49) HDAC1MEN1KMT2AHDAC3HDAC2
SCHEMBL3353147 0.88 HDAC1 (0.45) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL197969 0.88 HDAC1 (0.42) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL197856 0.88 HDAC1 (0.44) HDAC1KCNH2HDAC3HDAC2HDAC8

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 1/4885IGF1R 1912/4885MEN1 4082/4885

“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.