SCHEMBL5534141

SCHEMBL5534141

CC(C)NC(=O)CN1C=CN(C([O])=O)C=C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 4/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FAAH O00519 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
APOBEC3A P31941 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL27605542 0.85 CHRM5 (0.43) CHRM5CHRM3KMT2AMEN1ALDH1A1
SCHEMBL8426821 0.67 CHRM5 (0.37) CHRM5CHRM3KMT2AMEN1ALDH1A1
SCHEMBL8426823 0.66 CHRM5 (0.39) CHRM5CHRM3KMT2AMEN1ALDH1A1
SCHEMBL23464917 0.65 CHRM5 (0.75) CHRM5CHRM3KMT2AMEN1ALDH1A1
SCHEMBL2111226 0.64 ALDH1A1 (0.67) CHRM5CHRM3KMT2AMEN1ALDH1A1
SCHEMBL5909175 0.63 MEN1 (0.52) CHRM5CHRM3KMT2AMEN1ALDH1A1
SCHEMBL18743787 0.63 CHRM5 (0.72) CHRM5CHRM3KMT2AMEN1ALDH1A1
SCHEMBL7721235 0.63 CHRM5 (0.72) CHRM5CHRM3KMT2AMEN1ALDH1A1
SCHEMBL15386866 0.63 KMT2A (0.56) CHRM5CHRM3KMT2AMEN1ALDH1A1
SCHEMBL22917058 0.62 KMT2A (0.46) CHRM5CHRM3KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1553802-A Camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-12-08 CN claimed
EP-1353673-B1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2007-04-18 EP disclosed
CN-1511159-A Nitrogen-based camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-07-07 CN disclosed
US-20040034050-A1 Homo-camptothecin derivatives CATHOLIC HEALTHCARE WEST, DOING BUSINESS AS ST. MARY'S MEDICAL CENTER OF SAN FRANCISCO 2004-02-19 US disclosed
WO-2003101406-A1 HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO disclosed
EP-1353673-A1 CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2003-10-22 EP disclosed
WO-2002056885-A1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-07-25 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-20040034050-A1 Homo-camptothecin derivatives CYP8B1, HCAR3, MTHFD2 CHRM5 4771/4885CHRM3 4653/4885KMT2A 4155/4885

“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.