SCHEMBL5314964

SCHEMBL5314964

COCCn1ccc2cc(NN)ccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.40
TNF P01375 5/20 0.39
ALDH1A1 P00352 1/20 0.39
GRM2 Q14416 1/20 0.39
TP53 P04637 1/20 0.39
CNR2 P34972 1/20 0.38
GRM4 Q14833 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35

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
SCHEMBL5313087 0.85 GRM2 (0.52) TNFGRM2GRM4HDAC3HDAC1
SCHEMBL5311119 0.82 FLT3 (0.45) RXFP1MAPTTNFALDH1A1GRM2
SCHEMBL5310274 0.82 HTR6 (0.43) GRM2GRM4HDAC3HDAC1HDAC6
SCHEMBL5308632 0.81 HDAC3 (0.48) TNFALDH1A1GRM2CNR2GRM4
SCHEMBL20786912 0.80 HSD17B10 (0.42) RXFP1MAPTTNFALDH1A1GRM2
SCHEMBL5312433 0.78 HSP90AB1 (0.58) GRM2KDM4EHSP90AB1HDAC1HDAC6
SCHEMBL5313061 0.78 MAPT (0.49) RXFP1MAPTALDH1A1TP53KDM4E
SCHEMBL5308849 0.77 CHEK1 (0.42) MAPTALDH1A1TP53GRM4KDM4E
SCHEMBL5311297 0.76 LMNA (0.48) MAPTALDH1A1GRM2CNR2KDM4E
SCHEMBL5311724 0.75 FLT3 (0.50) ALDH1A1GRM2GRM4

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 RXFP1 338/4885MAPT 912/4885TNF 2553/4885

“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.