SCHEMBL658592

SCHEMBL658592

Cc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1-c1ccnc(C2(c3ccc(C(=O)NO)cc3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.43
CD274 Q9NZQ7 4/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL3352574 0.90 POLB (0.43) HPGDSCD274POLBKDM4EALDH1A1
SCHEMBL658165 0.89 HDAC1 (0.50) HPGDSKDM4EALDH1A1HDAC1
SCHEMBL658780 0.88 HPGDS (0.40) HPGDSCD274POLBKDM4EALDH1A1
SCHEMBL658761 0.86 AKT1 (0.47) KDM4ETRIM24TRIM33ALDH1A1HDAC1
SCHEMBL3351468 0.86 HPGDS (0.42) HPGDSCD274POLBKDM4ETRIM24
SCHEMBL700078 0.84 AURKA (0.53) HPGDSCD274HDAC2HDAC8HDAC6
SCHEMBL197432 0.84 HPGDS (0.41) HPGDSCD274POLBKDM4ETRIM24
SCHEMBL3353984 0.83 HPGDS (0.41) HPGDSCD274POLBKDM4ETRIM24
SCHEMBL658786 0.81 HDAC1 (0.45) ALDH1A1MAOAHDAC2HDAC8HDAC6
SCHEMBL655847 0.81 HDAC1 (0.49) HDAC2HDAC8HDAC6HDAC1HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 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 (2 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HPGDS 636/4885CD274 4262/4885POLB 718/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HPGDS 636/4885CD274 4262/4885POLB 718/4885

“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.