SCHEMBL6028629

SCHEMBL6028629

O=C(NC1CCCCC1)c1ccc(-c2cnc(-c3ccc(NC(=O)C4CCCCCC4)cc3)[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.50
PTPN2 P17706 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
NAMPT P43490 3/20 0.44
ABL1 P00519 2/20 0.44
EPHX2 P34913 1/20 0.43
SCN3A Q9NY46 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SCN9A Q15858 1/20 0.43
RIPK1 Q13546 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 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
SCHEMBL6027061 1.00 PTPN1 (0.50) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL6885545 0.93 ABL1 (0.45) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL6028360 0.89 PTPN1 (0.62) PTPN1PTPN2KDM4ESCN3ASMN1; SMN2
SCHEMBL6028790 0.89 PTPN1 (0.62) PTPN1PTPN2KDM4ESCN3ASMN1; SMN2
SCHEMBL14305032 0.89 PTPN1 (0.62) PTPN1PTPN2KDM4ESCN3ASMN1; SMN2
SCHEMBL14311202 0.89 PTPN1 (0.62) PTPN1PTPN2KDM4ESCN3ASMN1; SMN2
SCHEMBL6026031 0.88 MEN1 (0.52) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL6028026 0.88 KMT2A (0.43) PTPN1MEN1KMT2AKDM4ERXFP1
SCHEMBL6887046 0.87 PTPN1 (0.54) PTPN1PTPN2KMT2AKDM4ESCN3A
SCHEMBL6028361 0.87 PTPN1 (0.54) PTPN1PTPN2KMT2AKDM4ESCN3A

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 PTPN1 2513/4885PTPN2 2100/4885MEN1 2429/4885

“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.