SCHEMBL4051540

SCHEMBL4051540

Fc1ccc(-c2c[c]n[nH]2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.37
KIT P10721 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
IDO1 P14902 1/20 0.34
AKT1 P31749 1/20 0.34
KMO O15229 2/20 0.33
LDHA P00338 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL4050089 0.86 IDO1 (0.38) KITMEN1ALDH1A1THRBHPGD
SCHEMBL1899150 0.78 NISCH (0.41) MEN1ALDH1A1HPGDKMT2ANISCH
SCHEMBL1897590 0.73 POLB (0.42) MEN1ALDH1A1HPGDKMT2ANOTUM
SCHEMBL1898754 0.71 IDO1 (0.49) MEN1ALDH1A1THRBHPGDKMT2A
SCHEMBL9135463 0.68 ALDH1A1 (0.52) MEN1ALDH1A1HPGDKMT2AIDO1
SCHEMBL4044838 0.68 CYP4F2 (0.38)
SCHEMBL4043281 0.68 ALPL (0.37) ALPLALDH1A1ABCC8KCNJ11KMO
SCHEMBL6911265 0.66 ABCC8 (0.45) ALPLKITMEN1ALDH1A1THRB
SCHEMBL2750686 0.64 TTR (0.37) MEN1ALDH1A1HPGDKMT2AKMO
SCHEMBL3691118 0.64 SLC9A1 (0.36) ALDH1A1KMOPDE3BPDE3A

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 3498/4885KIT 588/4885MEN1 207/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R ALPL 3549/4885KIT 683/4885MEN1 198/4885

“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.