SCHEMBL5585422

SCHEMBL5585422

CN(Cc1ccc(C2CCCCC2)cc1)c1ccc(-c2csc(NCc3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
MRE11 P49959 1/20 0.44
TRPA1 O75762 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HSD17B10 Q99714 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CSNK2A1 P68400 2/20 0.39
ROCK2 O75116 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
SCHEMBL6000636 0.87 RXRA (0.39) ALDH1A1RAB9AMEN1KMT2AGAA
SCHEMBL6001059 0.87 RXRA (0.42) ALDH1A1RAB9AMEN1KMT2AGAA
SCHEMBL5585392 0.87 RXRA (0.42) ALDH1A1RAB9AMEN1KMT2AGAA
SCHEMBL6000638 0.87 RXRA (0.42) ALDH1A1RAB9AMEN1KMT2AGAA
SCHEMBL5585528 0.86 RXRA (0.41) ALDH1A1RAB9AMEN1KMT2AGAA
SCHEMBL5585241 0.86 RXRA (0.41) ALDH1A1RAB9AMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL5585448 0.86 RXRA (0.41) ALDH1A1RAB9AMEN1KMT2AGAA
SCHEMBL5585463 0.86 RXRA (0.43) ALDH1A1RAB9AMEN1KMT2AGAA
SCHEMBL5585767 0.85 RAB9A (0.43) MAPTALDH1A1RAB9ALMNAMEN1
SCHEMBL5585757 0.85 CPB1 (0.39) MAPTALDH1A1RAB9ALMNAMEN1

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 MAPT 4536/4885ALDH1A1 2229/4885RAB9A 1736/4885

“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.