SCHEMBL5585569

SCHEMBL5585569

CC(C)N(c1ccc(OCC(=O)O)cc1)c1nc(-c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 2/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
GCGR P47871 5/20 0.43
GIPR P48546 5/20 0.43
PPARD Q03181 1/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FFAR1 O14842 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5585428 0.88 MAPT (0.44) MAPTKDM4ENPSR1GCGRGIPR
SCHEMBL5585769 0.82 HDAC3 (0.43) MAPTKDM4EPOLBGCGRMAPK1
SCHEMBL5585264 0.81 MAPT (0.49) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL5585763 0.80 ALDH1A1 (0.47) MAPTKDM4ENPSR1MAPK1MEN1
SCHEMBL5585310 0.79 TRPV1 (0.43) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL5585701 0.78 RAB9A (0.53) MAPTNPSR1MAPK1MEN1KMT2A
SCHEMBL5585414 0.74 NFKB1 (0.58) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL5585459 0.70 HDAC3 (0.48) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL14601438 0.68 MAPT (0.48) MAPTKDM4EMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL5585570 0.68 MAPT (0.48) MAPTKDM4EMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 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 (1 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 MAPT 4536/4885KDM4E 1482/4885POLB 4539/4885

“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.