SCHEMBL6026311

SCHEMBL6026311

O=C(Nc1ccc(-c2ncc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]2)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
PTPN1 P18031 4/20 0.51
HPGD P15428 2/20 0.51
PTPN2 P17706 2/20 0.51
NR2E3 Q9Y5X4 2/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
BCAT2 O15382 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PRMT5 O14744 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6028790 0.90 PTPN1 (0.62) NPC1RAB9APTPN1HPGDPTPN2
SCHEMBL14311202 0.90 PTPN1 (0.62) NPC1RAB9APTPN1HPGDPTPN2
SCHEMBL14305032 0.90 PTPN1 (0.62) NPC1RAB9APTPN1HPGDPTPN2
SCHEMBL6028360 0.90 PTPN1 (0.62) NPC1RAB9APTPN1HPGDPTPN2
SCHEMBL6029245 0.90 TP53 (0.51) KCNK3KCNK9NPC1RAB9APTPN1
SCHEMBL6028677 0.90 TP53 (0.51) KCNK3KCNK9NPC1RAB9APTPN1
SCHEMBL6029877 0.90 TP53 (0.51) KCNK3KCNK9NPC1RAB9APTPN1
SCHEMBL6888524 0.90 CCNA2 (0.53) KCNK3KCNK9NPC1RAB9APTPN1
SCHEMBL6026279 0.90 PTPN1 (0.49) KCNK3KCNK9PTPN1PTPN2NR2E3
SCHEMBL6027719 0.90 PTPN1 (0.49) KCNK3KCNK9PTPN1PTPN2NR2E3

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
CN-1826111-A Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS (US) 2006-08-30 CN disclosed
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 KCNK3 3339/4885KCNK9 4186/4885NPC1 4755/4885

“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.