SCHEMBL5585498

SCHEMBL5585498

CC(C)(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
LMNA P02545 3/20 0.60
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
ATM Q13315 1/20 0.52
BTK Q06187 2/20 0.51
MAPK14 Q16539 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
RARB P10826 1/20 0.48
RARA P10276 1/20 0.48
RARG P13631 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL5585534 0.92 RAB9A (0.52) MAPTLMNANPC1RAB9ATP53
SCHEMBL4408705 0.83 HDAC8 (0.61) MAPTLMNANPC1RAB9ATP53
SCHEMBL13594992 0.82 HDAC8 (0.65) MAPTLMNANPC1RAB9ATP53
SCHEMBL4411743 0.81 MAPK14 (0.66) MAPTLMNANPC1RAB9ATP53
SCHEMBL14601435 0.79 LMNA (0.53) MAPTLMNANPC1RAB9ATP53
SCHEMBL5585572 0.79 HDAC3 (0.52) MAPTNPC1RAB9AMAPK1HDAC8
Hydrochloric Acid SCHEMBL5585774 0.79 LMNA (0.52) MAPTLMNANPC1RAB9ATP53
SCHEMBL4406818 0.78 RAB9A (0.55) MAPTLMNANPC1RAB9ATP53
SCHEMBL5585962 0.77 LMNA (0.48) MAPTLMNANPC1RAB9ATP53
SCHEMBL21588728 0.77 MAPT (1.00) MAPTLMNANPC1RAB9ATP53

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 4536/4885LMNA 4756/4885NPC1 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.