SCHEMBL5585732

SCHEMBL5585732

Cc1nc(-c2ccc(F)cc2)c(COc2ccc(-c3csc(N(Cc4ccc(C(=O)O)cc4)C(C)C)n3)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 1/20 0.43
FFAR1 O14842 3/20 0.41
NR4A2 P43354 1/20 0.40
HTT P42858 2/20 0.40
PPARD Q03181 1/20 0.40
MMP13 P45452 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADAMTS4 O75173 2/20 0.38
MMP2 P08253 2/20 0.38
MMP14 P50281 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38

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
SCHEMBL5585510 0.80 PPARD (0.58) FFAR1PPARD
SCHEMBL5585655 0.80 GCGR (0.49) NR4A2PPARDMMP13ALDH1A1ADAMTS4
SCHEMBL5585686 0.78 KMT2A (0.47) KMT2AMEN1MAPTFFAR1NR4A2
SCHEMBL5585411 0.76 FFAR1 (0.44) KMT2AMEN1FFAR1HTTMMP13
SCHEMBL5585255 0.74 TRPM8 (0.47) KMT2AMEN1HTTKDM4ERAB9A
SCHEMBL5585488 0.73 KMT2A (0.44) KMT2AMEN1MAPTFFAR1NR4A2
SCHEMBL14601449 0.73 KMT2A (0.40) KMT2AMEN1MAPTFFAR1NR4A2
Hydrochloric Acid SCHEMBL5585421 0.72 KMT2A (0.40) KMT2AMEN1MAPTFFAR1NR4A2
SCHEMBL5585238 0.72 RAB9A (0.50) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL14601453 0.72 ALDH1A1 (0.42) KMT2AMEN1HTTKDM4ERAB9A

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 KMT2A 2589/4885MEN1 3299/4885MAPT 4536/4885

“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.