SCHEMBL19339944

SCHEMBL19339944

[2H]C([2H])([2H])Oc1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.53
AKR1C3 P42330 7/20 0.52
AKR1C2 P52895 7/20 0.52
AKR1B10 O60218 2/20 0.52
AKR1B1 P15121 2/20 0.52
AKR1C4 P17516 2/20 0.52
AKR1C1 Q04828 2/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
TSHR P16473 2/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CASP6 P55212 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL30580504 0.89 AKR1C3 (0.63) DTYMKAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL269614 0.89 AKR1C3 (0.63) DTYMKAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL18260661 0.85 TDP1 (0.57) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL6567226 0.80 KDM4E (0.62) DTYMKAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL6164746 0.80 ALDH1A1 (0.63) DTYMKAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL11008714 0.80 KDM4E (0.55) DTYMKAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL26343222 0.79 DTYMK (0.53) DTYMKAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL8872227 0.79 MAPT (0.61) DTYMKMEN1KMT2ATDP1TTR
SCHEMBL8094959 0.78 LMNA (0.48) DTYMKMEN1KMT2AMAPTKDM4E
SCHEMBL26343209 0.78 DTYMK (0.51) DTYMKAKR1C3AKR1C2AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258807-A1 SUBSTITUTED TRIAZOLOBENZODIAZEPINES CONCERT PHARMACEUTICALS, INC. (US) 2017-09-14 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-20170258807-A1 SUBSTITUTED TRIAZOLOBENZODIAZEPINES BET1, BRD4, BRPF3 DTYMK 2887/4885AKR1C3 2489/4885AKR1C2 2426/4885

“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.