SCHEMBL3590903

SCHEMBL3590903

Nc1cccc2c1CC(N1CCOCC1)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.44
TRPV1 Q8NER1 6/20 0.40
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
TNF P01375 2/20 0.38
IL1B P01584 2/20 0.38
IKZF1 Q13422 2/20 0.38
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
IKZF3 Q9UKT9 2/20 0.38
BRD4 O60885 1/20 0.38
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 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
SCHEMBL3606102 0.88 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3605689 0.86 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3589421 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1CYP2C19KDM4E
SCHEMBL3590900 0.85 ALDH1A1 (0.42) ALDH1A1KMT2ATRPV1MEN1CYP2C19
SCHEMBL3596741 0.85 CRBN (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3587498 0.84 DRD2 (0.43) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3587351 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3594551 0.83 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3592826 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3593131 0.80 KDM4E (0.38) ALDH1A1KMT2AMEN1KDM4EGAA

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 1 patent. 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

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 ALDH1A1 1904/4885KMT2A 906/4885TRPV1 2518/4885

“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.