SCHEMBL1502073

SCHEMBL1502073

COc1c([N+](=O)[O-])c(O)c([N+](=O)[O-])c(OC)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 2/20 0.43
TDP1 Q9NUW8 2/20 0.40
TPMT P51580 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IMPDH2 P12268 1/20 0.38
MAPT P10636 1/20 0.38
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
S100A4 P26447 1/20 0.36

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
SCHEMBL1502447 1.00 SMN1; SMN2 (0.50) SMN1; SMN2PKMTDP1TPMTALDH1A1
SCHEMBL1502035 0.95 SMN1; SMN2 (0.50) SMN1; SMN2PKMTDP1TPMTALDH1A1
SCHEMBL1502446 0.95 SMN1; SMN2 (0.50) SMN1; SMN2PKMTDP1TPMTALDH1A1
SCHEMBL1502237 0.88 SMN1; SMN2 (0.54) SMN1; SMN2PKMTDP1TPMTALDH1A1
SCHEMBL28688869 0.77 SMN1; SMN2 (0.46) SMN1; SMN2PKMTDP1TPMTALDH1A1
SCHEMBL28694251 0.77 SMN1; SMN2 (0.46) SMN1; SMN2PKMTDP1TPMTALDH1A1
SCHEMBL28700863 0.77 SMN1; SMN2 (0.46) SMN1; SMN2PKMTDP1TPMTALDH1A1
SCHEMBL9348410 0.77 PKM (0.55) SMN1; SMN2PKMTDP1TPMTALDH1A1
Methyl Alcohol SCHEMBL29086936 0.75 S100A4 (0.44) SMN1; SMN2TDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL3083248 0.74 S100A4 (0.48) TDP1ALDH1A1TSHRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737308-B1 Methods for nitrating compounds ALLIANT TECHSYSTEMS INC. (US) 2010-06-15 US claimed
US-7910776-B2 Methods of producing 1,3,5-triamino-2,4,6-trinitrobenzene ALLIANT TECHSYSTEMS INC. (US) 2011-03-22 US disclosed
US-7910776-B2 Methods of producing 1,3,5-triamino-2,4,6-trinitrobenzene ALLIANT TECHSYSTEMS INC. (US) 2011-03-22 US disclosed
US-7910776-B2 Methods of producing 1,3,5-triamino-2,4,6-trinitrobenzene ALLIANT TECHSYSTEMS INC. (US) 2011-03-22 US disclosed
US-20100317894-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE ALLIANT TECHSYSTEMS INC. (US) 2010-12-16 US disclosed
US-20100317894-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE ALLIANT TECHSYSTEMS INC. (US) 2010-12-16 US disclosed
US-20100317894-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE ALLIANT TECHSYSTEMS INC. (US) 2010-12-16 US disclosed
US-7737308-B1 Methods for nitrating compounds ALLIANT TECHSYSTEMS INC. (US) 2010-06-15 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-20100317894-A1 METHODS OF PRODUCING 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE TST, TH, FOSB SMN1; SMN2 4699/4885PKM 3269/4885TDP1 826/4885

“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.