SCHEMBL5132626

SCHEMBL5132626

CS(=O)(=O)c1cc(N2CCN(CCO)CC2)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ DRD2 P14416 2/20 0.46
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ SLC6A9 P48067 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39

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
SCHEMBL1172592 0.84 SIRT6 (0.55) KCNJ1KCNH2ALDH1A1MAPTHTR2C
SCHEMBL12325546 0.82 MAPT (0.49) KCNJ1KCNH2ALDH1A1SLC6A9SLC6A5
SCHEMBL14032320 0.81 DRD2 (0.51) KCNH2DRD2JAK2JAK1ALDH1A1
SCHEMBL5131832 0.80 SLC6A9 (0.48) ALDH1A1SLC6A9SLC6A5MAPT
SCHEMBL27794415 0.80 DRD2 (0.50) DRD2JAK2JAK1ALDH1A1JAK3
SCHEMBL5130122 0.79 ALDH1A1 (0.41) KCNJ1KCNH2ALDH1A1SLC6A9SLC6A5
SCHEMBL1172676 0.78 SLC6A9 (0.54) ALDH1A1SLC6A9SLC6A5MAPT
SCHEMBL23355606 0.77 AKR1C3 (0.54) KCNJ1KCNH2DRD2JAK2JAK3
SCHEMBL20445316 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EHTR1AMAPTHTR2A
SCHEMBL3454537 0.76 DRD2 (0.78) KCNH2DRD2JAK2JAK1JAK3

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 KCNJ1 3420/4885KCNH2 4181/4885DRD2 3458/4885

“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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