SCHEMBL12436013

SCHEMBL12436013

CCC(=O)Nc1cc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)ccc1CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 2/20 0.58
AKT1 P31749 1/20 0.58
POLB P06746 1/20 0.57
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR6 P50406 1/20 0.54
MEN1 O00255 1/20 0.53
ALOX12 P18054 1/20 0.53
MAPT P10636 3/20 0.52
HSD17B10 Q99714 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CHIA Q9BZP6 1/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL12435943 0.81 NPC1 (0.58) KMT2AALDH1A1SMN1; SMN2POLBCYP3A4
SCHEMBL12436010 0.80 KMT2A (0.43) KMT2AALDH1A1SMN1; SMN2HTTAKT1
SCHEMBL12435989 0.76 SMN1; SMN2 (0.58) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL12436015 0.76 LMNA (0.62) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL12436017 0.73 SMN1; SMN2 (0.63) KMT2AALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL328330 0.73 ALDH1A1 (0.74) KMT2AALDH1A1SMN1; SMN2HTTAKT1
SCHEMBL24274737 0.73 KMT2A (1.00) KMT2AALDH1A1SMN1; SMN2HTTAKT1
SCHEMBL7824834 0.72 ALDH1A1 (0.78) KMT2AALDH1A1SMN1; SMN2HTTAKT1
SCHEMBL5449670 0.72 ALDH1A1 (0.73) KMT2AALDH1A1SMN1; SMN2HTTAKT1
Sulfadimethoxine SCHEMBL29363944 0.71 LMNA (1.00) KMT2AALDH1A1SMN1; SMN2HTTAKT1

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 964/4885ALDH1A1 2851/4885SMN1; 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.