SCHEMBL5585474

SCHEMBL5585474

CCOC(=O)c1ccc(N(C)c2nc(-c3ccc(N)cc3)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAOA P21397 1/20 0.52
PTGS2 P35354 1/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
MMP13 P45452 1/20 0.48
NFKB2 Q00653 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
SCHEMBL5585808 0.85 MAPT (0.57) LMNAPTGS2NPC1RAB9AMAPT
SCHEMBL4743571 0.80 ALDH1A1 (0.61) LMNACYP1A2CYP3A4MAOANPC1
SCHEMBL1173463 0.76 PRKCZ (0.54) LMNACYP1A2CYP3A4MAOANPC1
SCHEMBL12296055 0.76 NPC1 (0.66) LMNACYP3A4PTGS2NPC1RAB9A
SCHEMBL19006407 0.76 RAB9A (0.64) LMNANPC1RAB9AMAPTMEN1
SCHEMBL5585283 0.76 MAPT (0.51) LMNAPTGS2NPC1RAB9AMAPT
SCHEMBL8057388 0.75 CA12 (0.49) LMNACYP1A2CYP3A4MAOANPC1
SCHEMBL5585520 0.74 TLR8 (0.44) LMNANPC1RAB9AMAPTMEN1
SCHEMBL11374568 0.74 LMNA (0.89) LMNACYP1A2CYP3A4MAOANPC1
SCHEMBL12297485 0.73 MAPT (0.55) LMNAPTGS2NPC1RAB9AMAPT

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 LMNA 4756/4885CYP1A2 426/4885CYP3A4 322/4885

“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.