SCHEMBL3604452

SCHEMBL3604452

O=c1[nH]c(=O)n(CCCF)c2ncn(Cl)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ BRD4 O60885 5/20 0.53
▸ BRD2 P25440 2/20 0.53
▸ BRD3 Q15059 2/20 0.53
▸ BRDT Q58F21 2/20 0.53
▸ PDE4A P27815 5/20 0.51
▸ ADORA2A P29274 5/20 0.51
▸ PDE4B Q07343 5/20 0.51
▸ PDE4C Q08493 5/20 0.51
▸ PDE4D Q08499 5/20 0.51
▸ MAPK1 P28482 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28005448 0.74 MAPK1 (0.70) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL10813831 0.71 PDE4A (0.83) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL7457891 0.70 MEN1 (1.00) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL19066317 0.69 BRD4 (1.00) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL3177931 0.69 ADORA2A (0.42) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11399596 0.69 MEN1 (0.95) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11458744 0.68 MEN1 (0.74) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL3104007 0.67 MEN1 (0.75) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL3902928 0.67 PDE4A (1.00) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL515898 0.67 PDE4A (0.69) MEN1KMT2AALDH1A1BRD4BRD2

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-20100160354-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-06-24 — — 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-20100160354-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 MEN1 3009/4885KMT2A 3023/4885ALDH1A1 305/4885

“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.

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