SCHEMBL3589075

SCHEMBL3589075

Nc1ccc2c(c1)CC(CO)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.37
CRBN Q96SW2 7/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GSK3B P49841 1/20 0.33
CREBBP Q92793 1/20 0.32
LMNA P02545 1/20 0.32
DDB1 Q16531 2/20 0.31
ATAD2 Q6PL18 1/20 0.31
SMYD3 Q9H7B4 1/20 0.30
PDPK1 O15530 1/20 0.30
RET P07949 1/20 0.30
FLT3 P36888 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
SCHEMBL3597972 0.88 CA9 (0.47) CA9CRBNMAPTGAACYP19A1
SCHEMBL17502915 0.84 CA9 (0.36) CA9CRBNMAPTGAACYP19A1
SCHEMBL13564104 0.82 BRD4 (0.44) CRBNMAPTCREBBP
SCHEMBL3589070 0.82 CREBBP (0.32) CREBBP
SCHEMBL1018625 0.78 TSHR (0.43) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL16399613 0.78 CREBBP (0.47) MAPTGAACREBBP
SCHEMBL14721601 0.76 CA9 (0.40) CA9CRBNMAPTGAACYP19A1
SCHEMBL4891219 0.74 KIF11 (0.56) MEN1KMT2A
SCHEMBL3605984 0.74 TRPV1 (0.39) CA9CRBNDDB1
SCHEMBL3601354 0.73 KMT2A (0.37) CRBNMAPTGAAKDM4EMEN1

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 CA9 1531/4885CRBN 762/4885MAPT 4758/4885

“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.