SCHEMBL5717543

SCHEMBL5717543

COc1cc(=O)n(-c2cccc(Cl)c2)nc1C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
ESR1 P03372 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5717653 0.89 ALDH1A1 (0.68) GAASMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL10258911 0.76 SMN1; SMN2 (0.50) GAASMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL10258552 0.75 CYP1A2 (0.61) GAASMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL4331205 0.74 SMN1; SMN2 (0.71) GAASMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL8369691 0.73 SMN1; SMN2 (0.47) GAASMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL30482099 0.73 CASR (0.51) GAASMN1; SMN2RAB9ALMNAHTT
SCHEMBL12495017 0.73 SMN1; SMN2 (0.73) GAASMN1; SMN2RAB9AALDH1A1CYP1A2
SCHEMBL11867017 0.73 CASR (0.51) GAASMN1; SMN2RAB9ALMNAHTT
SCHEMBL518434 0.72 KMT2A (0.61) GAASMN1; SMN2RAB9AALDH1A1CYP1A2
SCHEMBL5717740 0.72 KMT2A (0.71) GAASMN1; SMN2RAB9AALDH1A1KDM4E

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-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 GAA 593/4885SMN1; SMN2 3554/4885RAB9A 1478/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 GAA 593/4885SMN1; SMN2 3554/4885RAB9A 1478/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 GAA 584/4885SMN1; SMN2 3041/4885RAB9A 1258/4885

“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.