SCHEMBL4659466

SCHEMBL4659466

O=C(O)Nc1ccc2ncccc2c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
IL1B P01584 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
PADI4 Q9UM07 1/20 0.42
HPGD P15428 1/20 0.42
PABPC1 P11940 1/20 0.42
EIF4H Q15056 1/20 0.42
PDE4B Q07343 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NSD2 O96028 1/20 0.41

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
SCHEMBL5652612 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AIL1B
SCHEMBL14349102 0.80 MAPT (0.47) ALDH1A1KDM4EMEN1KMT2AIL1B
SCHEMBL4658252 0.79 MEN1 (0.46) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4658243 0.79 KMT2A (0.48) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14349099 0.78 TACR1 (0.51) ALDH1A1MEN1KMT2APABPC1EIF4H
SCHEMBL4659164 0.77 TACR1 (0.57)
SCHEMBL8620986 0.76 MEN1 (0.73) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14349120 0.76 TACR1 (0.53) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7370108 0.74 PTPN1 (0.67) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14349104 0.74 KDM4E (0.52) KDM4EMEN1KMT2AIL1BMAPT

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
EP-1819342-A4 QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-12-17 EP disclosed
US-20070293492-A1 Quinoline Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 US disclosed
EP-1819342-A1 QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-08-22 EP disclosed
WO-2006060390-A1 QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-06-08 WO 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-20070293492-A1 Quinoline Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 ALDH1A1 874/4885KDM4E 2973/4885MEN1 1083/4885

“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.