SCHEMBL5652612

SCHEMBL5652612

Cc1ccccc1-c1c(NC(=O)O)ccc2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
IL1B P01584 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NUDT1 P36639 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40
ADORA3 P0DMS8 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
SCHEMBL4659466 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1IL1B
SCHEMBL14349117 0.80 TACR1 (0.52)
SCHEMBL14349121 0.78 TACR1 (0.48) ALDH1A1KDM4E
SCHEMBL4658279 0.77 IL1B (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1IL1B
SCHEMBL14349122 0.77 PSEN1 (0.46) ALDH1A1SMN1; SMN2LMNAKDM4EXIAP
Trifluoroacetic Acid SCHEMBL4659454 0.75 IL1B (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1IL1B
SCHEMBL4658243 0.75 KMT2A (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL4658238 0.73 KDM4E (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL8620986 0.72 MEN1 (0.73) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL7370108 0.70 PTPN1 (0.67) ALDH1A1SMN1; SMN2KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293492-A1 Quinoline Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 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-20070293492-A1 Quinoline Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 ALDH1A1 874/4885SMN1; SMN2 3874/4885KMT2A 1330/4885

“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.