SCHEMBL7080413

SCHEMBL7080413

O=C(Nc1ccccc1S(=O)(=O)NC(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 3/20 0.55
MAX P61244 2/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
BCL2L1 Q07817 6/20 0.50
MCL1 Q07820 6/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMPD1 P17405 2/20 0.48
LMNA P02545 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 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
SCHEMBL7076437 0.89 MEN1 (0.56) HDAC1HDAC8HDAC6BCL2L1MCL1
SCHEMBL7052824 0.87 SMPD1 (0.62) HDAC1HDAC8HDAC6BCL2L1MCL1
SCHEMBL7045604 0.86 SMPD1 (0.61) HDAC1HDAC8HDAC6BCL2L1MCL1
SCHEMBL7080255 0.86 MAPT (0.58) HDAC1HDAC8HDAC6BCL2L1MCL1
SCHEMBL7081910 0.86 HDAC8 (0.64) HDAC1HDAC8HDAC6BCL2L1MCL1
SCHEMBL7077931 0.86 HDAC1 (0.54) HDAC1HDAC8HDAC6BCL2L1MCL1
SCHEMBL7076910 0.86 HDAC1 (0.59) HDAC1HDAC8HDAC6BCL2L1MCL1
SCHEMBL7050463 0.84 MYC (0.61) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL7080770 0.84 HDAC1 (0.52) HDAC1HDAC8HDAC6BCL2L1MCL1
SCHEMBL7076463 0.83 SMPD1 (0.52) HDAC1HDAC8HDAC6BCL2L1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162818-A1 Acylsulfonamide derivative AJINOMOTO CO. INC. (JP) 2003-08-28 US disclosed
US-6555584-B1 Acetyl-coa carboxylase inhibitors AJINOMOTO CO., INC. (JP) 2003-04-29 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-20030162818-A1 Acylsulfonamide derivative ACSS2, ACACA, FASN MYC 1649/4885MAX 4277/4885HDAC1 271/4885

“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.