SCHEMBL3605113

SCHEMBL3605113

COc1ccc(CN2Cc3c(cccc3[N+](=O)[O-])NC2=O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TTR P02766 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL3594499 0.77 ACE (0.40) MAPTLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9165337 0.74 LMNA (0.54) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL13545419 0.70 BRD4 (0.49) KMT2AMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL30908473 0.68 IDH1 (0.48) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL18177869 0.66 KDM4E (0.66) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL30638850 0.66 MEN1 (0.42) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL2191407 0.65 KMT2A (0.56) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL28397102 0.65 SMN1; SMN2 (0.57) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL22165853 0.65 KMT2A (0.48) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL29541127 0.65 KMT2A (0.48) KMT2AMEN1MAPTLMNASMN1; SMN2

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 KMT2A 906/4885MEN1 2424/4885MAPT 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.