SCHEMBL5585547

SCHEMBL5585547

CC(C)N(c1ccc(C(=O)O)cc1)c1nc(-c2nc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3o2)cs1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MEN1 O00255 1/20 0.41
SLC26A4 O43511 1/20 0.41
KMT2A Q03164 1/20 0.41
F2RL3 Q96RI0 6/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CYP2D6 P10635 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
MAOA P21397 1/20 0.38
MAPT P10636 1/20 0.38
FFAR1 O14842 3/20 0.37
AURKB Q96GD4 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL5585797 0.86 KDM4E (0.47) MAOBMEN1KMT2AMRGPRX4NR1H4
SCHEMBL5585550 0.83 MAOB (0.41) MAOBMEN1SLC26A4KMT2AF2RL3
SCHEMBL5585511 0.82 MAOB (0.41) MAOBMEN1SLC26A4KMT2AF2RL3
SCHEMBL5585479 0.80 MAOB (0.41) MAOBMEN1SLC26A4KMT2AF2RL3
SCHEMBL5585892 0.75 NPC1 (0.49) MAOBMEN1KMT2AMRGPRX4RXRA
SCHEMBL5999790 0.75 MAOB (0.42) MAOBMEN1SLC26A4KMT2AF2RL3
SCHEMBL5585686 0.74 KMT2A (0.47) MAOBMEN1KMT2AMRGPRX4NR1H4
SCHEMBL5585713 0.72 LPAR1 (0.37) MAOBF2RL3MAOAFFAR1
SCHEMBL5585391 0.72 NR4A2 (0.42) MAOBF2RL3RXRARXRB
SCHEMBL5585379 0.72 F2RL3 (0.38) MEN1KMT2AF2RL3

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 MAOB 1036/4885MEN1 3299/4885SLC26A4 497/4885

“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.