SCHEMBL5129188

SCHEMBL5129188

O=C(Cl)c1cc(N2CCOCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
AKR1C3 P42330 1/20 0.49
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
IDE P14735 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
SLC6A9 P48067 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
LMNA P02545 1/20 0.45
MGLL Q99685 1/20 0.45
PAX8 Q06710 1/20 0.45

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
SCHEMBL1172184 0.87 KMO (0.55) MAPTAKR1C3KDM4EGLAPKM
SCHEMBL1172381 0.86 SMN1; SMN2 (0.57) MAPTAKR1C3KDM4EPKMGAA
SCHEMBL2712653 0.83 MAPT (0.54) MAPTAKR1C3KDM4EPKMALDH1A1
SCHEMBL1172369 0.83 MAPT (0.54) MAPTAKR1C3KDM4EPKMALDH1A1
SCHEMBL2712582 0.83 MAPT (0.47) MAPTAKR1C3KDM4EPKMGAA
SCHEMBL1926767 0.83 MAPT (0.53) MAPTAKR1C3KDM4EGLAGAA
SCHEMBL2710964 0.83 LMNA (0.57) MAPTAKR1C3GAAALDH1A1SMN1; SMN2
SCHEMBL2712073 0.81 SLC6A9 (0.50) MAPTAKR1C3KDM4EPKMALDH1A1
SCHEMBL6167412 0.81 KMO (0.48) MAPTAKR1C3KDM4EGLAPKM
Formaldehyde SCHEMBL19406154 0.81 MAPT (0.51) MAPTAKR1C3PKMALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 MAPT 3593/4885AKR1C3 1583/4885KDM4E 1632/4885

“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.