SCHEMBL6887204

SCHEMBL6887204

c1cc(-c2cnc(-c3ccc(NC4CCCCCC4)cc3)[nH]2)ccc1NC1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 5/20 0.47
NPY5R Q15761 3/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
APAF1 O14727 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRPV1 Q8NER1 1/20 0.40
HPGDS O60760 3/20 0.40
IP6K1 Q92551 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TXN P10599 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL6887052 1.00 SCN2A (0.47) SCN2ANPY5RMAPTKDM4EMEN1
SCHEMBL6027412 0.93 SCN2A (0.42) SCN2ANPY5RMAPTKDM4EMEN1
SCHEMBL27636638 0.90 SCN2A (0.39) SCN2ANPY5RMAPTKDM4EMEN1
SCHEMBL6027409 0.88 NQO2 (0.46) TRPV1
SCHEMBL6028361 0.87 PTPN1 (0.54) MAPTKDM4EALDH1A1MAPK1KMT2A
SCHEMBL6887198 0.87 PTPN1 (0.54) MAPTKDM4EALDH1A1MAPK1KMT2A
SCHEMBL6887046 0.87 PTPN1 (0.54) MAPTKDM4EALDH1A1MAPK1KMT2A
SCHEMBL6028360 0.77 PTPN1 (0.62) MAPTKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL14311202 0.77 PTPN1 (0.62) MAPTKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL6028790 0.77 PTPN1 (0.62) MAPTKDM4EALDH1A1MAPK1HSD17B10

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 SCN2A 4668/4885NPY5R 4342/4885MAPT 3569/4885

“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.