SCHEMBL3593079

SCHEMBL3593079

Nc1ccc2c(c1)NC(=O)N(Cc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.51
MAPK3 P27361 1/20 0.51
ACHE P22303 1/20 0.46
EPHX2 P34913 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SNRNP200 O75643 2/20 0.41
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL10672127 0.82 ACHE (0.62) MAPK1MAPK3ACHEEPHX2DDB1
SCHEMBL13606951 0.82 KDM4E (0.47) MAPK1MAPK3ACHEEPHX2DDB1
SCHEMBL13382916 0.80 MAPK1 (0.48) MAPK1MAPK3ACHEEPHX2DDB1
SCHEMBL27790555 0.80 CA9 (0.49) CRBNCA9KDM4EMEN1GAA
SCHEMBL3596541 0.79 MAPK1 (0.47) MAPK1MAPK3ACHEEPHX2DDB1
SCHEMBL3600321 0.78 CA9 (0.47) CA9KDM4EALDH1A1HPGD
SCHEMBL29010959 0.77 KDM4E (0.55) ACHECRBNKDM4EMEN1KMT2A
SCHEMBL31391661 0.77 KDM4E (0.55) ACHECRBNKDM4EMEN1KMT2A
SCHEMBL29546562 0.75 MAPK1 (0.55) MAPK1MAPK3ACHEEPHX2DDB1
SCHEMBL3225584 0.74 GRM5 (0.49) ACHEKDM4EMEN1GAAMAPT

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 5 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
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
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
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN 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 MAPK1 1102/4885MAPK3 485/4885ACHE 2556/4885

“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.