SCHEMBL7080296

SCHEMBL7080296

O=C(Nc1ccccc1S(=O)(=O)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.58
NPC1 O15118 2/20 0.53
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
ERO1A Q96HE7 1/20 0.49
SNCA P37840 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
HSP90AA1 P07900 1/20 0.48
OPRK1 P41145 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
MITF O75030 1/20 0.47
CD40 P25942 2/20 0.47
CD40LG P29965 2/20 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
SCHEMBL7076342 0.82 PTGES (0.60) PTGESNPC1RAB9AHDAC6LMNA
SCHEMBL7049852 0.82 PTGES (0.58) PTGESMEN1KMT2APOLB
SCHEMBL7052354 0.80 PTGES (0.56) PTGESNPC1ALDH1A1POLBRAB9A
SCHEMBL7052309 0.79 PTGES (0.56) PTGESLMNA
SCHEMBL11797457 0.79 NPC1 (0.66) NPC1MAPTALDH1A1ERO1ASNCA
SCHEMBL14106630 0.78 NPC1 (0.68) NPC1MAPTALDH1A1ERO1ASNCA
SCHEMBL7076437 0.77 MEN1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7080297 0.77 KMT2A (0.46) NPC1MAPTALDH1A1ERO1AMEN1
SCHEMBL7077602 0.77 PTGES (0.53) PTGESALDH1A1LMNA
SCHEMBL7050682 0.77 PTGES (0.53) PTGESALDH1A1LMNA

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 PTGES 3406/4885NPC1 397/4885MAPT 3922/4885

“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.