SCHEMBL5585238

SCHEMBL5585238

CC(C)N(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
KMT2A Q03164 6/20 0.50
NPC1 O15118 6/20 0.50
MEN1 O00255 5/20 0.50
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GSTO1 P78417 1/20 0.45
CPB1 P15086 1/20 0.44
HTT P42858 2/20 0.44
GCGR P47871 2/20 0.44
GIPR P48546 2/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
PTPRB P23467 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5585850 0.85 MEN1 (0.54) RAB9AKMT2ANPC1MEN1KDM4E
SCHEMBL5585521 0.80 GCGR (0.46) KMT2AMEN1KDM4EGCGRGIPR
SCHEMBL5585255 0.79 TRPM8 (0.47) RAB9AKMT2ANPC1MEN1KDM4E
SCHEMBL5585559 0.79 GCGR (0.46) KMT2AMEN1KDM4EGSTO1GCGR
SCHEMBL6000827 0.78 GCGR (0.41) RAB9AKMT2ANPC1MEN1KDM4E
SCHEMBL5585508 0.77 CPB1 (0.45) RAB9AKMT2ANPC1MEN1KDM4E
SCHEMBL5585375 0.76 CPB1 (0.46) RAB9AKMT2ANPC1MEN1KDM4E
SCHEMBL5585655 0.76 GCGR (0.49) L3MBTL1GCGRGIPRALDH1A1ALOX5
SCHEMBL14601453 0.76 ALDH1A1 (0.42) RAB9AKMT2ANPC1MEN1KDM4E
SCHEMBL5585686 0.76 KMT2A (0.47) RAB9AKMT2ANPC1MEN1KDM4E

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 5 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-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 RAB9A 1736/4885KMT2A 2589/4885NPC1 1217/4885

“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.