SCHEMBL3594130

SCHEMBL3594130

Nc1cccc2c1NC(=O)C(N1CCOCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPV1 Q8NER1 6/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
CRBN Q96SW2 3/20 0.38
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
TNF P01375 1/20 0.34
IL1B P01584 1/20 0.34
TBXA2R P21731 1/20 0.34
IKZF1 Q13422 1/20 0.34
DDB1 Q16531 1/20 0.34
IKZF3 Q9UKT9 1/20 0.34
PIM1 P11309 1/20 0.33

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
SCHEMBL3601780 0.88 TSHR (0.43) ALDH1A1KMT2AMEN1DRD2DRD4
SCHEMBL3595638 0.86 TSHR (0.46) ALDH1A1KMT2AMEN1DRD2DRD4
SCHEMBL3593851 0.85 DRD2 (0.41) ALDH1A1CYP2C19DRD2DRD4CRBN
SCHEMBL3604103 0.85 CRBN (0.41) ALDH1A1KMT2AMEN1DRD2DRD4
SCHEMBL3599721 0.85 DRD2 (0.39) ALDH1A1KMT2AMEN1DRD2DRD4
SCHEMBL3594128 0.84 POLB (0.39) POLBALDH1A1KMT2AMEN1CYP2C19
SCHEMBL3597120 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1DRD2DRD4
SCHEMBL3595928 0.83 DRD2 (0.37) ALDH1A1KMT2AMEN1DRD2DRD4
Hydrochloric Acid SCHEMBL10774931 0.83 ALDH1A1 (0.43) POLBALDH1A1KMT2AMEN1CYP2C19
SCHEMBL3607361 0.83 MEN1 (0.40) ALDH1A1KMT2AMEN1DRD2DRD4

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 POLB 1341/4885ALDH1A1 1904/4885KMT2A 906/4885

“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.