SCHEMBL5585668

SCHEMBL5585668

CN(c1ccc(C(=O)O)cc1)c1nc(-c2cccc(OCc3ccc(C4CCCCC4)cc3)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
NFKB1 P19838 1/20 0.43
MMP13 P45452 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
USP30 Q70CQ3 2/20 0.41
UCHL1 P09936 1/20 0.41
MRGPRX4 Q96LA9 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
SCHEMBL5585540 0.91 MRGPRX4 (0.40) SMN1; SMN2TSHRLMNAMAPTMEN1
SCHEMBL5585490 0.91 KMT2A (0.41) SMN1; SMN2TSHRMEN1KMT2AUSP30
SCHEMBL5585571 0.90 HRH3 (0.44) SMN1; SMN2TSHRLMNAMAPTNPC1
SCHEMBL6000173 0.90 HRH3 (0.44) SMN1; SMN2TSHRLMNAMAPTNPC1
SCHEMBL5585783 0.90 MRGPRX4 (0.39) SMN1; SMN2TSHRNPC1MEN1KMT2A
SCHEMBL5585226 0.88 MRGPRX4 (0.39) SMN1; SMN2TSHRMEN1KMT2AUSP30
SCHEMBL5585812 0.87 MEN1 (0.40) SMN1; SMN2TSHRNPC1MEN1KMT2A
SCHEMBL5585491 0.85 MEN1 (0.40) SMN1; SMN2TSHRMEN1KMT2AMRGPRX4
SCHEMBL5585573 0.82 CSNK2A1 (0.61) SMN1; SMN2MAPTNPC1MEN1KMT2A
SCHEMBL5585458 0.81 HRH3 (0.44) SMN1; SMN2LMNAMAPTNPC1KMT2A

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 SMN1; SMN2 4461/4885TSHR 332/4885LMNA 4756/4885

“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.