SCHEMBL6648310

SCHEMBL6648310

O=c1[nH]c(N2CCN(CCO)CC2)cc2ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ APAF1 O14727 1/20 0.42
▸ CDC25B P30305 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ BACE1 P56817 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 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
SCHEMBL6643990 0.86 KMT2A (0.43) MEN1KMT2AAPAF1CDC25BCASP3
SCHEMBL6646891 0.85 KMT2A (0.47) MEN1KMT2AAPAF1CDC25BCASP3
SCHEMBL6650746 0.83 APAF1 (0.47) HTTAPAF1CDC25BCASP3SENP8
SCHEMBL6644996 0.78 AKR1C3 (0.49) MEN1KMT2AAPAF1CDC25BCASP3
SCHEMBL6644242 0.73 APAF1 (0.42) HTTMEN1KMT2AAPAF1CDC25B
SCHEMBL6646301 0.73 PARP1 (0.42) HTTAPAF1CDC25BCASP3SENP8
SCHEMBL6646884 0.73 MAPT (0.40) MEN1KMT2AAPAF1CDC25BCASP3
SCHEMBL6646110 0.71 APAF1 (0.61) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6649052 0.71 APAF1 (0.65) KMT2AAPAF1CDC25BCASP3SENP8
SCHEMBL6646122 0.69 APAF1 (0.59) MEN1KMT2AAPAF1CDC25BCASP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 HTT 898/4885MEN1 1853/4885KMT2A 1102/4885

“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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