SCHEMBL5332390

SCHEMBL5332390

NNc1ccc2c(=O)n(Cc3ccccn3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
GRM4 Q14833 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
LMNA P02545 1/20 0.41
SLC2A1 P11166 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.40
CNOT7 Q9UIV1 1/20 0.39
KLKB1 P03952 1/20 0.39
MAP4K1 Q92918 1/20 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
SCHEMBL5311595 0.81 ACHE (0.44) LMNASMN1; SMN2ERBB2BRD4BRD2
SCHEMBL5309410 0.79 ALDH1A1 (0.43) KDM4EGRM4HDAC3HDAC4HDAC1
SCHEMBL5316623 0.77 CYP19A1 (0.42) LMNAALDH1A1KLKB1MEN1KMT2A
SCHEMBL5313944 0.77 THRB (0.44) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL5311119 0.75 FLT3 (0.45) KDM4EGRM4HDAC3HDAC1HDAC6
SCHEMBL5313911 0.75 LMNA (0.46) LMNA
SCHEMBL5311297 0.74 LMNA (0.48) KDM4EHDAC3HDAC1HDAC6LMNA
SCHEMBL5312433 0.74 HSP90AB1 (0.58) KDM4EHDAC1HDAC2HDAC11HDAC8
SCHEMBL5310870 0.74 MAPT (0.47) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL5313087 0.73 GRM2 (0.52) GRM4HDAC3HDAC1HDAC6EGFR

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 KDM4E 3529/4885GRM4 74/4885HDAC3 2042/4885

“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.