SCHEMBL5585503

SCHEMBL5585503

CC(C)N(c1ccc(C(=O)O)c(Cl)c1)c1nc(-c2ccc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.45
PHGDH O43175 1/20 0.43
BTK Q06187 1/20 0.43
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TNIK Q9UKE5 1/20 0.40
CHEK1 O14757 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
SCHEMBL14601443 0.93 MAPT (0.44) RAB9ANPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL5585447 0.93 MAPT (0.44) RAB9ANPC1MEN1KMT2A
SCHEMBL14601444 0.93 LMNA (0.49) RAB9ANPC1PHGDHBTKKMT2A
Hydrochloric Acid SCHEMBL5585886 0.92 LMNA (0.49) RAB9ANPC1PHGDHBTKKMT2A
SCHEMBL14601442 0.89 NPC1 (0.49) RAB9ANPC1PHGDHMEN1KMT2A
SCHEMBL5585504 0.89 NPC1 (0.48) RAB9ANPC1PHGDHAURKAKDR
SCHEMBL5585502 0.85 NPC1 (0.47) RAB9ANPC1PHGDHMEN1KMT2A
SCHEMBL5585481 0.83 HDAC3 (0.43) RAB9ANPC1MEN1KMT2A
SCHEMBL14601438 0.82 MAPT (0.48) RAB9ANPC1MEN1KMT2A
SCHEMBL14601435 0.81 LMNA (0.53) RAB9ANPC1PHGDHBTK

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 RAB9A 1736/4885NPC1 1217/4885PHGDH 2976/4885

“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.