SCHEMBL5313087

SCHEMBL5313087

CCCn1ccc2cc(NN)ccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 11/20 0.52
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ TNF P01375 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ GRM4 Q14833 1/20 0.38

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
SCHEMBL5308632 0.89 HDAC3 (0.48) GRM2HDAC3HDAC1HDAC6TNF
SCHEMBL5311119 0.88 FLT3 (0.45) GRM2HDAC3HDAC1HDAC6TNF
SCHEMBL5314964 0.85 RXFP1 (0.41) GRM2HDAC3HDAC1HDAC6TNF
SCHEMBL5310274 0.85 HTR6 (0.43) GRM2HDAC3HDAC1HDAC6GRM4
SCHEMBL5312433 0.81 HSP90AB1 (0.58) GRM2HDAC1HDAC6
SCHEMBL5308849 0.80 CHEK1 (0.42) EGFRPOLBCHEK1FLT3GRM4
SCHEMBL5311595 0.78 ACHE (0.44) POLB
SCHEMBL5311724 0.78 FLT3 (0.50) GRM2POLBCHEK1FLT3GRM4
SCHEMBL6923560 0.78 GRM2 (0.55) GRM2HDAC3HDAC1HDAC6TNF
SCHEMBL5309410 0.76 ALDH1A1 (0.43) GRM2HDAC3HDAC1HDAC6GRM4

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 GRM2 62/4885HDAC3 2042/4885HDAC1 2479/4885

“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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