SCHEMBL5585795

SCHEMBL5585795

CC(C)N(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 3/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 2/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
TP53 P04637 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
PKM P14618 1/20 0.45
MCL1 Q07820 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL5585962 0.93 LMNA (0.48) MAPTSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL5585850 0.86 MEN1 (0.54) MAPTSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL14601438 0.86 MAPT (0.48) MAPTSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL5585665 0.85 HDAC3 (0.46) MAPTSMN1; SMN2KDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL5585570 0.85 MAPT (0.48) MAPTSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL14601436 0.81 MAPT (0.48) MAPTSMN1; SMN2KDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL5585415 0.80 MAPT (0.47) MAPTSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL14601443 0.79 MAPT (0.44) MAPTSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL14601449 0.79 KMT2A (0.40) MAPTSMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL14601442 0.79 NPC1 (0.49) MAPTKMT2AHSD17B10RAB9ANPC1

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 4536/4885SMN1; SMN2 4461/4885KDM4E 1482/4885

“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.