SCHEMBL12436010

SCHEMBL12436010

CCC(=O)Nc1cc(NS(=O)(=O)c2cc(OC)nc(OC)n2)ccc1CO

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
AKT1 P31749 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPT P10636 3/20 0.40
HSD17B10 Q99714 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
CHIA Q9BZP6 1/20 0.39

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
SCHEMBL12436013 0.80 KMT2A (0.58) KMT2APOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL12436008 0.76 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2ALDH1A1HTTNPSR1
SCHEMBL12435943 0.75 NPC1 (0.58) KMT2APOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL12436015 0.73 LMNA (0.62) KMT2ASMN1; SMN2ALDH1A1HTTNPSR1
SCHEMBL12436017 0.71 SMN1; SMN2 (0.63) KMT2ASMN1; SMN2ALDH1A1HTTNPSR1
SCHEMBL12435989 0.69 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2ALDH1A1HTTNPSR1
SCHEMBL12512678 0.68 GAA (0.40) KMT2APOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL2219490 0.66 SMN1; SMN2 (0.59) KMT2APOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL12435963 0.65 MAPT (0.58) KMT2APOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL12436031 0.65 MAPK1 (0.57) KMT2APOLBSMN1; SMN2ALDH1A1MEN1

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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 KMT2A 964/4885POLB 1111/4885SMN1; SMN2 4598/4885

“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.