SCHEMBL6648966

SCHEMBL6648966

O=c1[nH]c(CCCN2CCCCCC2)cc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.62
▸ HRH3 Q9Y5N1 5/20 0.55
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ PARP2 Q9UGN5 3/20 0.46
▸ HTR7 P34969 3/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ CDC25B P30305 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ HTR1A P08908 1/20 0.43

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
SCHEMBL6645998 1.00 PARP1 (0.62) PARP1HRH3LOXL2PARP2HTR7
SCHEMBL6646614 0.99 PARP1 (0.60) PARP1HRH3LOXL2PARP2HTR7
SCHEMBL6645634 0.92 HRH3 (0.65) PARP1HRH3LOXL2HTR2AAPAF1
SCHEMBL6648629 0.92 HRH3 (0.65) PARP1HRH3LOXL2HTR2AAPAF1
SCHEMBL6643929 0.90 HRH3 (0.67) PARP1HRH3LOXL2HTR2AAPAF1
SCHEMBL6646824 0.88 HRH4 (0.49) PARP1HRH3LOXL2PARP2HTR7
SCHEMBL6645402 0.83 LOXL2 (0.55) PARP1HRH3LOXL2LMNAAPAF1
SCHEMBL6646518 0.83 LOXL2 (0.55) PARP1HRH3LOXL2LMNAAPAF1
SCHEMBL6649322 0.82 PARP1 (0.57) PARP1HRH3PARP2
SCHEMBL6644297 0.81 PARP1 (0.58) PARP1HRH3PARP2

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 PARP1 2/4885HRH3 2016/4885LOXL2 4680/4885

“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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