SCHEMBL4044285

SCHEMBL4044285

Fc1ccc(-c2n[c]ccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL27687527 0.80 MEN1 (0.45) MEN1KMT2ANPC1RAB9AATM
SCHEMBL28285879 0.80 MAPT (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11103424 0.80 MEN1 (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16457493 0.79 KIF11 (0.47) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL16720037 0.79 MAPT (0.42) KMT2ANPC1RAB9AMAPTL3MBTL1
SCHEMBL468098 0.79 NPC1 (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16719958 0.78 HPGDS (0.40) CYP3A4TP53CLK4HDAC1HDAC6
SCHEMBL11109935 0.76 TP53 (0.42) NPC1RAB9AMAPTUSP2CYP1A2
SCHEMBL11105020 0.76 TP53 (0.42) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL4695390 0.75

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
CN-108864076-A glucosylceramide synthase inhibitors 建新公司 2018-11-23 CN disclosed
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 207/4885KMT2A 2946/4885NPC1 4195/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MEN1 198/4885KMT2A 2851/4885NPC1 4203/4885

“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.