SCHEMBL5130122

SCHEMBL5130122

CS(=O)(=O)c1cc(N2CCC(O)CC2)cc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SLC6A9 P48067 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KCNJ1 P48048 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GPR119 Q8TDV5 4/20 0.37
▸ ACHE P22303 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RORC P51449 1/20 0.35

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
SCHEMBL12325546 0.85 MAPT (0.49) ALDH1A1LMNASLC6A9SLC6A5MAPT
SCHEMBL1172592 0.82 SIRT6 (0.55) ALDH1A1LMNAMAPTKCNJ1KCNH2
SCHEMBL1172676 0.81 SLC6A9 (0.54) ALDH1A1LMNASLC6A9SLC6A5MAPT
SCHEMBL5131832 0.81 SLC6A9 (0.48) ALDH1A1LMNASLC6A9SLC6A5MAPT
SCHEMBL22032842 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL14032706 0.79 GPR119 (0.42) LMNAGPR119RORC
SCHEMBL5132626 0.79 KCNJ1 (0.49) ALDH1A1KDM4ESLC6A9SLC6A5MAPT
SCHEMBL4428990 0.77 MAPT (0.48) ALDH1A1MAPTMEN1KMT2A
SCHEMBL4500240 0.75 GPR119 (0.58) GPR119RORC
SCHEMBL12325543 0.74 KCNJ1 (0.36) ALDH1A1LMNASLC6A9SLC6A5MAPT

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 ALDH1A1 1143/4885KDM4E 1632/4885LMNA 4146/4885

“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.

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