SCHEMBL5585797

SCHEMBL5585797

CC(C)N(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
FFAR1 O14842 3/20 0.42
ALKBH1 Q13686 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
NR4A2 P43354 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
RXRG P48443 1/20 0.40
EIF4E P06730 1/20 0.40

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
SCHEMBL5585892 0.89 NPC1 (0.49) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL5585686 0.88 KMT2A (0.47) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL5585547 0.86 MAOB (0.45) MEN1KMT2ARXRARXRBMAOB
SCHEMBL5585721 0.85 KMT2A (0.46) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL5585430 0.84 MEN1 (0.48) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL5585457 0.82 FFAR1 (0.44) KDM4ENPC1RAB9ARXRARXRB
SCHEMBL5585524 0.81 FFAR1 (0.44) KDM4ENPC1RAB9ARXRARXRB
SCHEMBL5585545 0.79 HRH3 (0.43) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL5585293 0.78 RXRA (0.50) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL5585418 0.78 CSNK2A1 (0.62) KDM4ENPC1RAB9AMEN1KMT2A

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 KDM4E 1482/4885NPC1 1217/4885RAB9A 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.