SCHEMBL10150652

SCHEMBL10150652

CCCNn1c(C)c(C(=O)NCc2ccc(Cl)cc2)c(C)c(Br)c1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.50
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 2/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 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
SCHEMBL10150603 0.89 CNR1 (0.44) KMT2AMEN1LMNAHPGDALDH1A1
SCHEMBL2013388 0.89 THRB (0.39) THRBLMNAALDH1A1MAPTTDP1
SCHEMBL10150960 0.88 PDE10A (0.42) THRBKMT2AMEN1LMNAMAPT
SCHEMBL1979905 0.82 P2RX7 (0.43)
SCHEMBL10150590 0.82 PDE10A (0.42) THRBKMT2ALMNAMAPT
SCHEMBL1975060 0.81 PPARG (0.40) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL2015522 0.79 BCL2 (0.42) THRBKMT2AMEN1LMNAALDH1A1
SCHEMBL2010877 0.78 L3MBTL1 (0.48) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL1976362 0.77 WDR91 (0.37) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL1978497 0.75 KCNA3 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
WO-2011072691-A1 PYRIDONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2011-06-23 WO disclosed
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 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-20110144164-A1 Pyridone derivatives as NK3 antagonists KCNK3, GRIK3, KCND3 THRB 2186/4885KMT2A 1757/4885MEN1 2098/4885

“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.