SCHEMBL5585504

SCHEMBL5585504

CC(C)N(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)cc2)cs1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
CHEK1 O14757 3/20 0.48
PHGDH O43175 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM1A O60341 4/20 0.43
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
KDM1B Q8NB78 4/20 0.43
RCOR1 Q9UKL0 4/20 0.43
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL14601442 0.99 NPC1 (0.49) NPC1RAB9ACHEK1PHGDHMEN1
SCHEMBL14601438 0.92 MAPT (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5585502 0.91 NPC1 (0.47) NPC1RAB9ACHEK1PHGDHMEN1
SCHEMBL14601435 0.91 LMNA (0.53) NPC1RAB9APHGDHMAPTHPGD
Hydrochloric Acid SCHEMBL5585570 0.91 MAPT (0.48) NPC1RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5585774 0.90 LMNA (0.52) NPC1RAB9APHGDHKDM1AMAOA
SCHEMBL14601439 0.89 USP2 (0.45) NPC1RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5585950 0.89 USP2 (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5585503 0.89 RAB9A (0.46) NPC1RAB9ACHEK1PHGDHMEN1
SCHEMBL14601440 0.86 NPC1 (0.41) NPC1RAB9AMEN1KMT2AMAPT

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 3 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-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 1736/4885CHEK1 3803/4885

“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.