SCHEMBL6884890

SCHEMBL6884890

CC1CCC(C(=O)Nc2ccc(-c3ncc(-c4ccc(NC5CCCCC5C)cc4)[nH]3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
PTPN2 P17706 1/20 0.43
SCN3A Q9NY46 2/20 0.41
SCN9A Q15858 1/20 0.41
GSK3B P49841 2/20 0.39
NAMPT P43490 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR2E3 Q9Y5X4 2/20 0.36
KDR P35968 2/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
MDM2 Q00987 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
DHODH Q02127 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL6031826 0.94 PTPN1 (0.49) PTPN1PTPN2SCN3ASCN9ARAB9A
SCHEMBL6028319 0.89 PTPN1 (0.54) PTPN1PTPN2SCN3ASCN9AGSK3B
SCHEMBL6029160 0.89 PTPN1 (0.54) PTPN1PTPN2SCN3ASCN9AGSK3B
SCHEMBL6885880 0.88 SCN3A (0.42) PTPN1PTPN2SCN3ASCN9ARAB9A
SCHEMBL6887689 0.88 PTPN1 (0.44) PTPN1PTPN2SCN3ASCN9AGSK3B
SCHEMBL14305032 0.82 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9ARAB9A
SCHEMBL14311202 0.82 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9ARAB9A
SCHEMBL6028790 0.82 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9ARAB9A
SCHEMBL6028360 0.82 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9ARAB9A
SCHEMBL6029811 0.82 PTPN1 (0.51) PTPN1PTPN2SCN3ASCN9AGSK3B

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 2 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
US-20040229927-A1 Imidazole derivatives for treatment of allergic and hyperproliferative disorders AVANIR PHARMACEUTICALS 2004-11-18 US 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 2100/4885SCN3A 4724/4885

“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.