SCHEMBL6887198

SCHEMBL6887198

O=C(Nc1ccc(-c2ncc(-c3ccc(NC4CCCCCC4)cc3)[nH]2)cc1)C1CCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.54
PTPN2 P17706 1/20 0.54
SCN3A Q9NY46 2/20 0.46
SCN9A Q15858 1/20 0.46
HPGD P15428 3/20 0.45
KIT P10721 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 4/20 0.42
TP53 P04637 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6887046 1.00 PTPN1 (0.54) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL6028361 1.00 PTPN1 (0.54) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL6028790 0.93 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL14311202 0.93 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL14305032 0.93 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL6028360 0.93 PTPN1 (0.62) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL6028629 0.87 PTPN1 (0.50) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL6027061 0.87 PTPN1 (0.50) PTPN1PTPN2SCN3ASCN9AHPGD
SCHEMBL6887204 0.87 SCN2A (0.47) KDM4EALDH1A1HSD17B10POLBMAPK1
SCHEMBL6887052 0.87 SCN2A (0.47) KDM4EALDH1A1HSD17B10POLBMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.