SCHEMBL3601734

SCHEMBL3601734

Nc1ccc2c(c1)NC(=O)C(N1CCC[C@H]1CO)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 4/20 0.36
CRBN Q96SW2 3/20 0.36
PARP1 P09874 4/20 0.35
CHEK1 O14757 1/20 0.35
MAP2K1 Q02750 1/20 0.35
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
DDB1 Q16531 1/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL3601354 0.91 KMT2A (0.37) ALDH1A1KDM4EMAPTGAACRBN
SCHEMBL3601732 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EMAPTGAAPARP1
SCHEMBL3599096 0.86 CASP3 (0.39) CA9ALDH1A1KDM4EMAPTGAA
SCHEMBL13545284 0.84 TRPV1 (0.37) ALDH1A1KDM4EMAPTGAAPARP1
SCHEMBL13545552 0.84 TRPV1 (0.37) ALDH1A1KDM4EMAPTGAAPARP1
SCHEMBL3606198 0.82 CA9 (0.40) CA9ALDH1A1KDM4EMAPTGAA
SCHEMBL3605706 0.80 PARP1 (0.32) CA9ALDH1A1KDM4EMAPTGAA
SCHEMBL3601351 0.80 KMT2A (0.37) ALDH1A1KDM4EMAPTGAAPARP1
SCHEMBL3589647 0.77 CRBN (0.36) ALDH1A1KDM4EMAPTGAACRBN
SCHEMBL3601188 0.77 KDM4E (0.41) ALDH1A1KDM4EMAPTGAACRBN

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 1531/4885ALDH1A1 1904/4885KDM4E 2284/4885

“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.