SCHEMBL4658243

SCHEMBL4658243

O=C(O)Nc1ccc2ncccc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PABPC1 P11940 2/20 0.42
EIF4H Q15056 2/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL11641740 0.82 ALDH1A1 (0.50) KMT2AMEN1HDAC6MAPTKDM4E
SCHEMBL27687613 0.79 METAP1 (0.46) KMT2AMEN1HDAC6MAPTKDM4E
SCHEMBL4659466 0.79 ALDH1A1 (0.46) KMT2AMEN1HDAC6MAPTKDM4E
SCHEMBL8620986 0.79 MEN1 (0.73) KMT2AMEN1HDAC6MAPTKDM4E
SCHEMBL14349103 0.77 MAPT (0.52) KMT2AMEN1HDAC6MAPTKDM4E
SCHEMBL4659412 0.76 ALDH1A1 (0.43) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL5652612 0.75 ALDH1A1 (0.46) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22798955 0.73 IMPDH2 (0.50) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7370108 0.73 PTPN1 (0.67) KMT2AMEN1HDAC6KDM4EALDH1A1
SCHEMBL1446148 0.73 TDP1 (0.42) KMT2AMEN1HDAC6MAPTKDM4E

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 KMT2A 1330/4885MEN1 1083/4885HDAC6 1966/4885

“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.