SCHEMBL12885000

SCHEMBL12885000

COC(=O)C(C)(C)Oc1cc(Cl)nc(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.34
CNR2 P34972 3/20 0.33
S1PR2 O95136 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
ATF1 P18846 1/20 0.32
NFKB1 P19838 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31

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
SCHEMBL12888238 0.82 POLB (0.40) LMNAKDM4ESMN1; SMN2TSHRPPARA
SCHEMBL12884999 0.80 SMN1; SMN2 (0.40) ALDH1A1LMNAKDM4ECNR2S1PR2
SCHEMBL2913933 0.79 ALDH1A1 (0.37) ALDH1A1LMNACNR2SMN1; SMN2ABCB11
SCHEMBL2917005 0.77 P2RX3 (0.36) ALDH1A1LMNACNR2SMN1; SMN2ABCB11
SCHEMBL12884985 0.76 LMNA (0.35) LMNACNR2SMN1; SMN2ABCB11CYP1A2
SCHEMBL30882872 0.75 KDM4E (0.35) ALDH1A1LMNAKDM4ECNR2S1PR2
SCHEMBL22924930 0.75 KDM4E (0.35) ALDH1A1LMNAKDM4ECNR2S1PR2
SCHEMBL12888299 0.75 ADORA3 (0.44) ALDH1A1LMNAPPARAL3MBTL1
SCHEMBL12884897 0.74 ABL1 (0.39) CNR2CYP1A2
SCHEMBL12884998 0.74 KMT2A (0.45) ALDH1A1LMNAKDM4ESMN1; SMN2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 US disclosed
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 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-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS KCNJ2, KCNJ1, KCNJ11 ALDH1A1 4563/4885LMNA 2577/4885KDM4E 1063/4885

“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.