SCHEMBL3355176

SCHEMBL3355176

Cc1nc2ccccn2c1-c1csc(C2(c3cccc(C(=O)NO)c3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.48
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
HTT P42858 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
KLF5 Q13887 1/20 0.48
NR2F2 P24468 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CDK2 P24941 4/20 0.46

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
SCHEMBL197109 0.91 CDK2 (0.47) GAALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL1919296 0.88 HDAC1 (0.53) GAALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL3356335 0.87 CDK2 (0.46) GAALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL197443 0.85 CDK2 (0.44) GAALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL3352141 0.85 AKT1 (0.39) GAALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL2699595 0.84 CDK2 (0.46) GAALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL3357662 0.84 CDK2 (0.50) KDM4EALDH1A1HDAC1CDK2CCNE1
SCHEMBL2698271 0.83 CDK2 (0.46) GAALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL3353423 0.83 PKM (0.47) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL2699573 0.83 CDK2 (0.46) GAALMNASMN1; SMN2KDM4EALDH1A1

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-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 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 GAA 79/4885LMNA 1594/4885SMN1; SMN2 3414/4885

“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.