SCHEMBL5585705

SCHEMBL5585705

CN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
MMP2 P08253 2/20 0.44
MMP8 P22894 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
KDM4E B2RXH2 1/20 0.43
DRD4 P21917 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
BID P55957 1/20 0.42
BCL2A1 Q16548 1/20 0.42

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
SCHEMBL5585506 0.93 KMT2A (0.50) NPC1RAB9ASMN1; SMN2LMNAMMP2
SCHEMBL5585397 0.85 ENPP2 (0.47) NPC1RAB9ASMN1; SMN2LMNAMMP2
SCHEMBL1746621 0.83 KMT2A (0.60) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL5585389 0.78 ENPP2 (0.41) SMN1; SMN2
SCHEMBL5585205 0.76 KMT2A (0.49) NPC1RAB9ASMN1; SMN2LMNAKMT2A
Hydrochloric Acid SCHEMBL10713081 0.75 DRD4 (0.68) SMN1; SMN2LMNAHTR2AHTR2CHTR2B
SCHEMBL5585486 0.74 KMT2A (0.47) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL5585695 0.73 MEN1 (0.42) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL5585800 0.73 GCGR (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5585380 0.73 GCGR (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 NPC1 1217/4885RAB9A 1736/4885SMN1; SMN2 4461/4885

“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.