SCHEMBL4045189

SCHEMBL4045189

Fc1ccc(-c2cc3[nH][c]nn3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLAT P00750 1/20 0.37
KDM5B Q9UGL1 1/20 0.35
RAD51 Q06609 1/20 0.35
CDC7 O00311 1/20 0.35
PIM1 P11309 1/20 0.35
GSK3B P49841 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
SCN4A P35499 1/20 0.33
CA12 O43570 1/20 0.33
ALPL P05186 1/20 0.33
RPA1 P27694 1/20 0.33
PSD A5PKW4 2/20 0.33
TP53 P04637 2/20 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
SCHEMBL4050688 0.85 ESRRA (0.38) MEN1KMT2ACDC7CA12ALPL
SCHEMBL4051287 0.83 PARP1 (0.40) MEN1NPC1LMNARAB9AKMT2A
SCHEMBL4051318 0.83 IDO1 (0.42) MEN1NPC1LMNARAB9AKMT2A
SCHEMBL4051538 0.83 RAD51 (0.39) NPC1RAB9ASMN1; SMN2RAD51GSK3B
SCHEMBL4045655 0.82 JAK2 (0.40) KDM5BCLK4MAPT
SCHEMBL4052401 0.80 ALPL (0.35) ALPLTP53
SCHEMBL4047056 0.74 PARP1 (0.45) MEN1NPC1LMNARAB9AKMT2A
SCHEMBL4047695 0.74 IDO1 (0.46) MEN1LMNAKMT2A
SCHEMBL4043096 0.71 ALDH1A3 (0.43) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8684313 0.69 CA12 (0.41) MEN1NPC1LMNARAB9AKMT2A

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 MEN1 207/4885NPC1 4195/4885LMNA 3763/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MEN1 198/4885NPC1 4203/4885LMNA 3641/4885

“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.