SCHEMBL1976040

SCHEMBL1976040

CCCNn1c(C)c(C(=O)OCC)c(C)c(Cl)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 8/20 0.36
HPGD P15428 4/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
FHIT P49789 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL1976717 0.74 ALDH1A1 (0.44) KMT2AUSP2CYP1A2ALDH1A1HPGD
SCHEMBL11330470 0.70 KMT2A (0.47) KMT2AUSP2L3MBTL1CYP1A2ALDH1A1
SCHEMBL391311 0.68 KMT2A (0.57) KMT2AUSP2L3MBTL1CYP1A2ALDH1A1
SCHEMBL11398053 0.68 ALDH1A1 (0.40) KMT2ACYP1A2ALDH1A1HPGDTSHR
SCHEMBL522852 0.66 ALDH1A1 (0.54) KMT2AUSP2ALDH1A1HPGDTSHR
SCHEMBL9947969 0.65 KDM4E (0.35) KMT2AUSP2L3MBTL1HTTALDH1A1
SCHEMBL5331916 0.65 ALDH1A1 (0.52) KMT2AUSP2ALDH1A1HPGDTSHR
SCHEMBL1401174 0.64 ALDH1A1 (0.55) KMT2AUSP2L3MBTL1HTTALDH1A1
SCHEMBL1976296 0.64 CYP3A4 (0.40) KMT2ACYP1A2HTTALDH1A1HPGD
SCHEMBL29903830 0.63 CYP1A2 (0.49) KMT2AUSP2CYP1A2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US claimed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
US-8207347-B2 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-06-26 US disclosed
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
US-20110144164-A1 Pyridone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2011-06-16 US 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 KMT2A 1757/4885USP2 4743/4885L3MBTL1 4333/4885

“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.