SCHEMBL13628346

SCHEMBL13628346

CNC(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
RECQL P46063 1/20 0.63
TP53 P04637 1/20 0.61
NPC1 O15118 1/20 0.60
MAPT P10636 3/20 0.57
MAPK1 P28482 1/20 0.57
GAA P10253 3/20 0.56
KCNMA1 Q12791 1/20 0.56
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.55
PHGDH O43175 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55

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
SCHEMBL11332310 0.89 KMT2A (0.73) KMT2AMEN1ALDH1A1SMN1; SMN2TP53
SCHEMBL6854893 0.86 KMT2A (0.65) KMT2AMEN1ALDH1A1TP53NPC1
SCHEMBL28433481 0.83 DDX3X (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2TP53
SCHEMBL29740651 0.82 KMT2A (0.69) KMT2AMEN1ALDH1A1TP53NPC1
SCHEMBL733777 0.82 KMT2A (0.69) KMT2AMEN1ALDH1A1TP53NPC1
SCHEMBL6857920 0.82 KMT2A (0.73) KMT2AMEN1ALDH1A1TP53NPC1
SCHEMBL13390947 0.81 KMT2A (0.63) KMT2AMEN1SMN1; SMN2TP53NPC1
SCHEMBL4388940 0.81 CXCR2 (0.78) KMT2AMEN1ALDH1A1SMN1; SMN2TP53
Fluoride SCHEMBL28083677 0.81 KMT2A (0.67) KMT2AMEN1ALDH1A1TP53NPC1
SCHEMBL1745798 0.80 KMT2A (0.71) KMT2AMEN1ALDH1A1TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640462-B2 Oil gelator NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2020-05-05 US disclosed
US-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2019-07-16 US disclosed
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2018-06-28 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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 (4 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-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 KMT2A 234/4885MEN1 2469/4885ALDH1A1 968/4885
US-10640462-B2 Oil gelator MGLL, CCNL2, CCNI KMT2A 3226/4885MEN1 3185/4885ALDH1A1 593/4885
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 KMT2A 3594/4885MEN1 4320/4885ALDH1A1 4310/4885
US-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof HCRTR2, HCRTR1, NPSR1 KMT2A 234/4885MEN1 2469/4885ALDH1A1 968/4885

“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.