SCHEMBL3340347

SCHEMBL3340347

O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.69
MEN1 O00255 8/20 0.69
MAPT P10636 5/20 0.68
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2C19 P33261 2/20 0.68
TP53 P04637 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
PKM P14618 1/20 0.68
TSHR P16473 1/20 0.68
NFKB1 P19838 1/20 0.68
MAPK1 P28482 1/20 0.68
PPARG P37231 1/20 0.68
THPO P40225 1/20 0.68
MTOR P42345 1/20 0.68
RORC P51449 1/20 0.68
PMP22 Q01453 1/20 0.68

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
SCHEMBL30302454 0.91 KMT2A (0.72) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL4565267 0.87 MAPT (0.63) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL4565265 0.87 MAPT (0.63) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL8122501 0.86 SMN1; SMN2 (0.70) KMT2AMEN1MAPTSMN1; SMN2CYP3A4
SCHEMBL10836873 0.85 KMT2A (0.72) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL9191303 0.85 SMN1; SMN2 (0.56) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL6565993 0.85 KMT2A (0.68) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL8310013 0.84 MAPT (0.80) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL28489220 0.84 KMT2A (0.67) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL2969209 0.84 MEN1 (0.59) KMT2AMEN1MAPTLMNASMN1; SMN2

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-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 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-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 KMT2A 1143/4885MEN1 1570/4885MAPT 4666/4885

“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.