SCHEMBL3714384

SCHEMBL3714384

O=C(O)N(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 2/20 0.52
ALDH1A1 P00352 5/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CRHBP P24387 3/20 0.48
CRHR2 Q13324 3/20 0.48
ATM Q13315 1/20 0.46
TLR9 Q9NR96 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3714383 1.00 KMT2A (0.56) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL11622734 0.90 KMT2A (0.50) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL27600739 0.87 POLB (0.56) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL26128688 0.84 SMN1; SMN2 (0.52) KMT2AMEN1L3MBTL1ALDH1A1NPC1
SCHEMBL12045056 0.83 KMT2A (0.45) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL18741270 0.83 KMT2A (0.50) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL599831 0.83 CRHBP (0.63) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL2884783 0.81 CRHBP (0.58) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL3716240 0.80 L3MBTL1 (0.47) KMT2AMEN1L3MBTL1ALDH1A1CYP1A2
SCHEMBL6798819 0.80 POLB (0.57) KMT2AMEN1L3MBTL1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658650-B2 Substituted 1,1,3,1-tetraoxidobenzo[D][1,3,2]dithiazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY 2014-02-25 US disclosed
US-20110319429-A1 SUBSTITUTED 1,1,3,1-TETRAOXIDOBENZO[D][1,3,2]DITHIAZOLES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2011-12-29 US disclosed
EP-2393785-A1 SUBSTITUTED 1,1,3,3-TETRAOXIDOBENZO[D][1,3,2]DITHIAZOLES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION Vanderbilt University (US) 2011-12-14 EP disclosed
WO-2010088406-A1 SUBSTITUTED 1,1,3,3-TETRAOXIDOBENZO[D][1,3,2]DITHIAZOLES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2010-08-05 WO 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-20110319429-A1 SUBSTITUTED 1,1,3,1-TETRAOXIDOBENZO[D][1,3,2]DITHIAZOLES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM1, GRM4, GRIK4 KMT2A 2510/4885MEN1 4706/4885L3MBTL1 2712/4885

“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.