SCHEMBL6026673

SCHEMBL6026673

O=C(Nc1ccccn1)c1ccc(-c2cnc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 3/20 0.44
PKM P14618 1/20 0.44
GSK3B P49841 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
USP2 O75604 1/20 0.43
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL6027039 1.00 NPC1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL6026311 0.88 KCNK3 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL6030750 0.87 RAB9A (0.62) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL6026279 0.87 PTPN1 (0.49) KMT2AMEN1PTPN1PTPN2KCNK3
SCHEMBL6027719 0.87 PTPN1 (0.49) KMT2AMEN1PTPN1PTPN2KCNK3
SCHEMBL6028360 0.85 PTPN1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2PTPN1
SCHEMBL6028790 0.85 PTPN1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2PTPN1
SCHEMBL14305032 0.85 PTPN1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2PTPN1
SCHEMBL14311202 0.85 PTPN1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2PTPN1
SCHEMBL6888524 0.85 CCNA2 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613310-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS Avanir Pharmaceuticals (US) 2006-01-11 EP disclosed
US-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 US disclosed
WO-2004091610-A1 IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS AVANIR PHARMACEUTICALS (US) 2004-10-28 WO 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-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders ICOS, TSLP, IKZF3 NPC1 4755/4885RAB9A 3864/4885ALDH1A1 863/4885

“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.