SCHEMBL5312433

SCHEMBL5312433

NNc1ccc2c(=O)n(CCc3ccccc3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.58
ACHE P22303 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
METAP2 P50579 1/20 0.41
GRM2 Q14416 5/20 0.40
RORC P51449 1/20 0.40
PSMB1 P20618 2/20 0.39
PSMB5 P28074 2/20 0.39
PSMB2 P49721 2/20 0.39
HDAC6 Q9UBN7 3/20 0.38
APP P05067 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CNOT7 Q9UIV1 1/20 0.37
MCHR1 Q99705 1/20 0.37
KDM4E B2RXH2 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL5311595 0.87 ACHE (0.44) HSP90AB1ACHE
SCHEMBL5313087 0.81 GRM2 (0.52) GRM2HDAC6HDAC1
SCHEMBL31006527 0.80 HSP90AB1 (0.76) HSP90AB1ACHEL3MBTL1METAP2GRM2
SCHEMBL29283806 0.80 HSP90AB1 (0.76) HSP90AB1ACHEL3MBTL1METAP2GRM2
SCHEMBL582811 0.80 HSP90AB1 (0.61) HSP90AB1ACHEL3MBTL1METAP2GRM2
SCHEMBL28189599 0.79 HSP90AB1 (0.59) HSP90AB1ACHEL3MBTL1METAP2GRM2
SCHEMBL5311119 0.78 FLT3 (0.45) L3MBTL1GRM2HDAC6HDAC1KDM4E
SCHEMBL5310274 0.78 HTR6 (0.43) GRM2HDAC6HDAC1
SCHEMBL5314964 0.78 RXFP1 (0.41) HSP90AB1GRM2PSMB1PSMB5PSMB2
SCHEMBL5316623 0.78 CYP19A1 (0.42) ACHEL3MBTL1

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
WO-2007053352-A2 PYRROLOQUINOLINONE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-05-10 WO disclosed
US-20070099911-A1 Pyrroloquinolinone derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-03 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-20070099911-A1 Pyrroloquinolinone derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C HSP90AB1 2026/4885ACHE 706/4885L3MBTL1 4551/4885

“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.