SCHEMBL4497568

SCHEMBL4497568

Cc1cc(C(=O)O)cc(-n2cc(C(=O)c3ccccc3)nn2)c1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.55
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA9 Q16790 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESRRA P11474 10/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
MIF P14174 1/20 0.38

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
SCHEMBL14602792 0.86 KCNMA1 (0.56) KCNMA1CA1CA2CA4CA9
SCHEMBL18133805 0.80 KCNMA1 (0.57) KCNMA1CA1CA2CA4CA9
SCHEMBL18133802 0.78 KCNMA1 (0.76) KCNMA1CA1CA2CA4CA9
SCHEMBL16118277 0.76 KCNMA1 (0.73) KCNMA1CA1CA2CA4CA9
SCHEMBL18133796 0.76 KCNMA1 (0.62) KCNMA1CA1CA2CA4CA9
SCHEMBL4037031 0.75 MIF (0.51) ALDH1A1KDM4EHTTMIF
SCHEMBL18128901 0.74 KCNMA1 (0.71) KCNMA1CA1CA2CA4CA9
SCHEMBL71210 0.74 FLT3 (0.51) KCNMA1CA2CA9ESRRAALDH1A1
SCHEMBL16118282 0.72 KCNMA1 (0.54) KCNMA1CA1CA2CA4CA9
SCHEMBL16118288 0.71 KCNMA1 (0.81) KCNMA1CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 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 (2 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-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN KCNMA1 2294/4885CA1 3531/4885CA2 4085/4885
US-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN KCNMA1 2656/4885CA1 3799/4885CA2 3999/4885

“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.