SCHEMBL8475128

SCHEMBL8475128

Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HTT P42858 3/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 3/20 0.45
MITF O75030 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1616767 0.87 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAATLR2
SCHEMBL1616714 0.84 ALDH1A1 (0.47) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL1617550 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATLR2TLR1
SCHEMBL8034073 0.84 TLR2 (0.49) ALDH1A1HTTGAATLR2TLR1
SCHEMBL8475125 0.83 ALDH1A1 (0.50) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL10153120 0.82 ALDH1A1 (0.49) ALDH1A1HTTTLR2TLR1SMN1; SMN2
SCHEMBL512865 0.82 PSEN1 (0.50) HTTKMT2ALMNA
SCHEMBL23292585 0.82 TLR2 (0.49) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL15442425 0.81 TLR2 (0.48) ALDH1A1TLR2TLR1MAPK1
SCHEMBL16914219 0.81 TLR2 (0.44) ALDH1A1MEN1KMT2ATLR2TLR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US claimed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-9943606-B2 Dendritic polypeptide-based nanocarriers for the delivery of therapeutic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-17 US disclosed
US-20150196657-A1 Dendritic Polypeptide-Based Nanocarriers for the Delivery of Therapeutic Agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-07-16 US disclosed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US disclosed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 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-20150196657-A1 Dendritic Polypeptide-Based Nanocarriers for the Delivery of Therapeutic Agents CD2BP2, DCLRE1B, LNPEP ALDH1A1 4620/4885HTT 1815/4885MEN1 2126/4885

“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.