SCHEMBL6645402

SCHEMBL6645402

O=c1[nH]c(CN2CCCCCC2)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.55
▸ PABPC1 P11940 1/20 0.54
▸ KDM4E B2RXH2 6/20 0.50
▸ MAPT P10636 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ERN1 O75460 1/20 0.48
▸ HRH4 Q9H3N8 1/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ CDC25B P30305 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CRHBP P24387 1/20 0.46

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
SCHEMBL6646518 1.00 LOXL2 (0.55) LOXL2PABPC1KDM4EMAPTGAA
SCHEMBL6645453 0.85 HRH4 (0.68) LOXL2KDM4EGAAERN1HRH4
SCHEMBL6645634 0.85 HRH3 (0.65) LOXL2KDM4EGAAKMT2APARP1
SCHEMBL6648629 0.85 HRH3 (0.65) LOXL2KDM4EGAAKMT2APARP1
SCHEMBL6643929 0.84 HRH3 (0.67) LOXL2KDM4EGAAKMT2APARP1
SCHEMBL6645998 0.83 PARP1 (0.62) LOXL2PARP1APAF1CDC25BCASP3
SCHEMBL6648966 0.83 PARP1 (0.62) LOXL2PARP1APAF1CDC25BCASP3
SCHEMBL6646614 0.81 PARP1 (0.60) LOXL2KDM4EGAAPARP1APAF1
SCHEMBL16578984 0.80 TNKS (0.58) HRH4PARP1HRH3CDK4CCND1
SCHEMBL31010169 0.80 HRH4 (0.72) LOXL2KDM4EMAPTHRH4ALDH1A1

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 LOXL2 4680/4885PABPC1 1202/4885KDM4E 2586/4885

“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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