SCHEMBL4763988

SCHEMBL4763988

CN(CCCN1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HTR2A P28223 2/20 0.52
▸ HTR2C P28335 2/20 0.52
▸ HTR7 P34969 2/20 0.52
▸ HRH3 Q9Y5N1 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ SLC6A4 P31645 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KCNJ1 P48048 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA3 P07451 1/20 0.47
▸ CA4 P22748 1/20 0.47

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
SCHEMBL4763901 0.83 SIGMAR1 (0.64) SIGMAR1HRH3KCNH2CA12CA9
SCHEMBL8595603 0.82 SIGMAR1 (0.82) SIGMAR1ALDH1A1HRH3SLC6A4
Hydrochloric Acid SCHEMBL10405454 0.80 SIGMAR1 (0.60) SIGMAR1SMN1; SMN2ALDH1A1HTR7HRH3
SCHEMBL3944095 0.78 CA9 (0.57) ALDH1A1MAPTLMNAGAAPOLB
SCHEMBL3941274 0.75 CA9 (0.60) ALDH1A1MAPTLMNAGAAPOLB
SCHEMBL3573746 0.75 SIGMAR1 (0.64) SIGMAR1SMN1; SMN2ALDH1A1HTR7HRH3
SCHEMBL18205654 0.75 CA12 (0.53) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
SCHEMBL4805746 0.74 HRH3 (0.52) SIGMAR1SMN1; SMN2ALDH1A1HTR2AHTR2C
SCHEMBL4805750 0.74 HRH3 (0.52) SIGMAR1SMN1; SMN2ALDH1A1HTR2AHTR2C
SCHEMBL5995769 0.74 SIGMAR1 (0.53) SIGMAR1SMN1; SMN2ALDH1A1MAPTKDM4E

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
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 — — EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 — — EP disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 — — US disclosed
US-20030216406-A1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2003-11-20 — — US disclosed
EP-1303496-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2003-04-23 — — EP disclosed
WO-2002004429-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-17 — — 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-20030216406-A1 Pyrimidine derivatives TYMP, TYMS, CCNT1 SIGMAR1 3104/4885SMN1; SMN2 2611/4885ALDH1A1 482/4885

“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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