SCHEMBL16207643

SCHEMBL16207643

CC(C)(C)c1cc(Br)c2cccnc2c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.66
▸ HSP90AA1 P07900 7/20 0.66
▸ MEN1 O00255 7/20 0.66
▸ KMT2A Q03164 7/20 0.66
▸ TP53 P04637 6/20 0.66
▸ HTT P42858 5/20 0.66
▸ SMN1; SMN2 Q16637 5/20 0.66
▸ TDP1 Q9NUW8 4/20 0.66
▸ USP2 O75604 3/20 0.66
▸ ALOX12 P18054 7/20 0.48
▸ ALOX15 P16050 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MPI P34949 1/20 0.48

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
Broxyquinoline SCHEMBL29607319 0.80 KDM4E (1.00) KDM4EHSP90AA1MEN1KMT2ATP53
Broxyquinoline SCHEMBL115293 0.80 KDM4E (1.00) KDM4EHSP90AA1MEN1KMT2ATP53
Broxyquinoline SCHEMBL30485535 0.80 KDM4E (1.00) KDM4EHSP90AA1MEN1KMT2ATP53
SCHEMBL13283110 0.79 HSP90AA1 (0.72) KDM4EHSP90AA1MEN1KMT2ATP53
Broxyquinoline SCHEMBL28536097 0.78 KDM4E (0.96) KDM4EHSP90AA1MEN1KMT2ATP53
Broxyquinoline SCHEMBL31157810 0.78 KDM4E (0.96) KDM4EHSP90AA1MEN1KMT2ATP53
Broxyquinoline SCHEMBL28909008 0.78 KDM4E (0.96) KDM4EHSP90AA1MEN1KMT2ATP53
Broxyquinoline SCHEMBL261708 0.78 KDM4E (0.96) KDM4EHSP90AA1MEN1KMT2ATP53
Broxyquinoline SCHEMBL22734870 0.78 KDM4E (0.96) KDM4EHSP90AA1MEN1KMT2ATP53
Broxyquinoline SCHEMBL28500050 0.78 KDM4E (0.96) KDM4EHSP90AA1MEN1KMT2ATP53

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-20150126740-A1 METHOD FOR PRODUCING FARNESAL USING VANADIUM COMPLEX SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2015-05-07 — — US disclosed
EP-2799419-A1 METHOD FOR PRODUCING FARNESAL USING VANADIUM COMPLEX Sagami Chemical Research Institute (JP) 2014-11-05 — — 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-20150126740-A1 METHOD FOR PRODUCING FARNESAL USING VANADIUM COMPLEX FDPS, GGPS1, NDUFV1 KDM4E 4411/4885HSP90AA1 2781/4885MEN1 2108/4885

“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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