SCHEMBL4043281

SCHEMBL4043281

Fc1ccc(-c2n[c]n[nH]2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.37
AMY1A P0DUB6 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMO O15229 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
DHODH Q02127 1/20 0.32
TDP2 O95551 1/20 0.32

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
SCHEMBL4046137 0.86 PTPN1 (0.35) ALPLALDH1A1PDE3BPDE3A
SCHEMBL4052221 0.78 DCUN1D1 (0.46) ALDH1A1
SCHEMBL4046187 0.73 NPC1 (0.38) ALPLALDH1A1
SCHEMBL2652004 0.71 AMY1A (0.35) ALPLAMY1AABCC8KCNJ11ALDH1A1
SCHEMBL4044116 0.71 MGAM (0.42)
SCHEMBL4052094 0.69 NOTUM (0.38)
SCHEMBL1131458 0.69 ALPL (0.38) ALPLAMY1AABCC8KCNJ11ALDH1A1
SCHEMBL9135463 0.68 ALDH1A1 (0.52) ALDH1A1KMO
SCHEMBL4051540 0.68 ALPL (0.37) ALPLABCC8KCNJ11ALDH1A1KMO
SCHEMBL1688439 0.67 CASP6 (0.47)

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
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R ALPL 3498/4885AMY1A 3016/4885ABCC8 2878/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R ALPL 3549/4885AMY1A 2898/4885ABCC8 3135/4885

“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.