SCHEMBL17164751

SCHEMBL17164751

[2H]C([2H])([2H])Oc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.46
HSPB1 P04792 3/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SIRT6 Q8N6T7 1/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL29534201 1.00 TDP1 (0.53) TDP1ATMALDH1A1MAPTHSPB1
SCHEMBL221284 0.88 ALDH1A1 (0.61) TDP1ATMALDH1A1MAPTHSPB1
SCHEMBL29588929 0.88 ALDH1A1 (0.61) TDP1ATMALDH1A1MAPTHSPB1
SCHEMBL8812343 0.80 TDP1 (0.62) TDP1ATMALDH1A1MAPTHSPB1
SCHEMBL30184611 0.80 ALDH1A1 (0.43) TDP1ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL5495526 0.80 ALDH1A1 (0.51) TDP1ATMALDH1A1MAPTHSPB1
SCHEMBL27335613 0.77 TDP1 (0.58) TDP1ATMALDH1A1MAPTHSPB1
SCHEMBL20797745 0.77 ALDH1A1 (0.51) TDP1ATMALDH1A1MAPTHSPB1
SCHEMBL310522 0.77 MAPT (0.57) TDP1ATMALDH1A1MAPTHSPB1
SCHEMBL19178398 0.77 TDP1 (0.53) TDP1ATMALDH1A1MAPTHSPB1

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-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 US disclosed
EP-3129374-B1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RES CENTER B V (NL) 2018-12-19 EP disclosed
US-9856258-B2 (5,6-dihydro)pyrimido[4,5-E]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2018-01-02 US disclosed
US-20170096432-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2017-04-06 US disclosed
EP-3129374-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES Netherlands Translational Research Center B.V. (NL) 2017-02-15 EP disclosed
WO-2015155042-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2015-10-15 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-20170096432-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES DHFR, CYP2D6, DPYD TDP1 1245/4885ATM 2285/4885ALDH1A1 111/4885

“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.