SCHEMBL12396576

SCHEMBL12396576

c1ccc2c(c1)c1cnccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4cnccc43)ccc1O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.46
▸ MAOB P27338 4/20 0.46
▸ ACHE P22303 3/20 0.46
▸ CYP2D6 P10635 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ TOP2A P11388 1/20 0.35
▸ EDNRB P24530 1/20 0.35
▸ EDNRA P25101 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL12396573 0.87 MAOA (0.42) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL2388968 0.86 KDM4E (0.52) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL12259308 0.86 KDM4E (0.52) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL18675904 0.82 MAOA (0.50) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL5021433 0.82 MAOA (0.50) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL11910135 0.82 MAOA (0.53) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL17208658 0.82 MAOA (0.53) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL16356750 0.81 MAOA (0.56) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL5021387 0.81 MAOA (0.56) MAOAMAOBACHECYP2D6KDM4E
SCHEMBL16356751 0.81 MAOA (0.56) MAOAMAOBACHECYP2D6KDM4E

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-8633316-B2 Producing method of nitrogen containing condensed heterocyclic compound KONICA MINOLTA HOLDINGS, INC. (JP) 2014-01-21 — — US disclosed
US-8633316-B2 Producing method of nitrogen containing condensed heterocyclic compound KONICA MINOLTA HOLDINGS, INC. (JP) 2014-01-21 — — US disclosed
US-20110184176-A1 PRODUCING METHOD OF NITROGEN CONTAINING CONDENSED HETEROCYCLIC COMPOUND KONICA MINOLTA HOLDINGS, INC. (JP) 2011-07-28 — — US disclosed
US-20110184176-A1 PRODUCING METHOD OF NITROGEN CONTAINING CONDENSED HETEROCYCLIC COMPOUND KONICA MINOLTA HOLDINGS, INC. (JP) 2011-07-28 — — 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-20110184176-A1 PRODUCING METHOD OF NITROGEN CONTAINING CONDENSED HETEROCYCLIC COMPOUND C5, NISCH, CBR3 MAOA 185/4885MAOB 176/4885ACHE 699/4885

“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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