SCHEMBL3591908

SCHEMBL3591908

Nc1cccc2c1CC(CO)C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.38
CRBN Q96SW2 3/20 0.36
IDO1 P14902 3/20 0.34
TDO2 P48775 1/20 0.34
ALDH1A1 P00352 2/20 0.33
BRD4 O60885 2/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
TNF P01375 1/20 0.33
IL1B P01584 1/20 0.33
IKZF1 Q13422 1/20 0.33
DDB1 Q16531 1/20 0.33
IKZF3 Q9UKT9 1/20 0.33
PARP1 P09874 1/20 0.33
GSK3B P49841 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
BRPF1 P55201 1/20 0.30

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
SCHEMBL3591905 0.83 CREBBP (0.39) CREBBPIDO1TDO2ALDH1A1BRD4
SCHEMBL1450613 0.80 PARP1 (0.36) CREBBPCRBNIDO1ALDH1A1BRD4
SCHEMBL27746212 0.78 PARP1 (0.37) CREBBPCRBNIDO1ALDH1A1BRD4
SCHEMBL3606128 0.76 CRBN (0.36) CREBBPCRBNBRD4
SCHEMBL7484149 0.74 DDB1 (0.33) CREBBPCRBNALDH1A1BRD4POLB
SCHEMBL16399613 0.74 CREBBP (0.47) CREBBPIDO1TDO2BRD4GAA
SCHEMBL3592386 0.74 TRPV1 (0.38) CREBBPCRBNALDH1A1BLMDDB1
SCHEMBL3601188 0.73 KDM4E (0.41) CRBNALDH1A1BRD4TNFIL1B
SCHEMBL3593980 0.73 HTR5A (0.35) CREBBPCRBNBRD4TNFIL1B
SCHEMBL3948178 0.72 PYGL (0.42) CRBNALDH1A1BRD4DDB1IKZF3

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CREBBP 2015/4885CRBN 762/4885IDO1 1877/4885

“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.