SCHEMBL7076437

SCHEMBL7076437

O=C(Nc1ccccc1S(=O)(=O)NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
LMNA P02545 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
BCL2L1 Q07817 6/20 0.52
MCL1 Q07820 6/20 0.52
SMPD1 P17405 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
NR1H4 Q96RI1 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
FFAR1 O14842 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL7080255 0.92 MAPT (0.58) MEN1KMT2AMAPTMAOAMAOB
SCHEMBL7045604 0.91 SMPD1 (0.61) MEN1KMT2AMAOBHDAC1HDAC8
SCHEMBL7049348 0.90 MAOB (0.60) MEN1KMT2AMAPTMAOAMAOB
SCHEMBL7076910 0.90 HDAC1 (0.59) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL7052824 0.90 SMPD1 (0.62) MEN1KMT2AMAOBHDAC1HDAC8
SCHEMBL7080413 0.89 MYC (0.55) MEN1KMT2AMAPTLMNAHDAC1
SCHEMBL7049781 0.86 SMPD1 (0.61) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL7048363 0.86 MAOB (0.59) MEN1KMT2AMAPTMAOAMAOB
SCHEMBL7076564 0.85 HDAC1 (0.55) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL7045688 0.85 BCL2L1 (0.63) MEN1KMT2AMAOBHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191323-A1 Hypoglycemic agent AJINOMOTO CO., INC. (JP) 2003-10-09 US disclosed
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 (2 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 MEN1 4502/4885KMT2A 934/4885MAPT 3922/4885
US-20030191323-A1 Hypoglycemic agent GPR119, IAPP, SLC5A2 MEN1 3302/4885KMT2A 1780/4885MAPT 4390/4885

“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.