SCHEMBL6455529

SCHEMBL6455529

CCCN(CCC)S(=O)(=O)c1ccccc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 15/20 0.45
CA9 Q16790 15/20 0.45
CA2 P00918 3/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
ABCC2 Q92887 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
UGT1A7 Q9HAW7 1/20 0.45
SLC22A11 Q9NSA0 1/20 0.45
TP53 P04637 1/20 0.45
CA1 P00915 7/20 0.44
BMP1 P13497 1/20 0.41
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 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
SCHEMBL29941371 0.87 KMT2A (0.47) CA12CA9SMN1; SMN2TP53MEN1
SCHEMBL3454762 0.86 CA12 (0.55) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL31465210 0.84 CA9 (0.45) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL31465208 0.83 TP53 (0.65) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL30076512 0.80 CA12 (0.52) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL2997436 0.78 ALDH1A1 (0.47) CA9CA2SMN1; SMN2CA1LMNA
SCHEMBL4167677 0.78 CA12 (0.42) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL17688820 0.77 CA9 (0.43) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL11411674 0.76 CA12 (0.45) CA12CA9CA2RAB9ASMN1; SMN2
SCHEMBL365842 0.76 TSHR (0.47) CA12CA9CA2SMN1; SMN2CA1

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 CA12 4770/4885CA9 4851/4885CA2 4346/4885

“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.