SCHEMBL6883829

SCHEMBL6883829

O=C(Nc1ccc(-c2cnc(-c3ccccc3NC(=O)C3C4CC5CC(C4)CC3C5)[nH]2)cc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
PTPN2 P17706 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
HPGD P15428 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SCN3A Q9NY46 2/20 0.38
SCN9A Q15858 1/20 0.38
GRM4 Q14833 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL6887196 0.91 MAPT (0.37) PTPN1PTPN2ALDH1A1RXFP1NPC1
SCHEMBL6026685 0.90 PTPN1 (0.44) PTPN1PTPN2ALDH1A1KITKDR
SCHEMBL6886857 0.84 EPHX2 (0.43) ALDH1A1HPGDKMT2ASMN1; SMN2JAK1
SCHEMBL6888532 0.84 MAPT (0.37) PTPN1PTPN2ALDH1A1RXFP1NPC1
SCHEMBL6027185 0.82 PTPN1 (0.44) PTPN1PTPN2ALDH1A1KITKDR
SCHEMBL6887943 0.81 RAB9A (0.38) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL6027333 0.81 BRD4 (0.42) PTPN1PTPN2ALDH1A1RXFP1NPC1
SCHEMBL6028360 0.79 PTPN1 (0.62) PTPN1PTPN2ALDH1A1KITKDR
SCHEMBL14311202 0.79 PTPN1 (0.62) PTPN1PTPN2ALDH1A1KITKDR
SCHEMBL6028790 0.79 PTPN1 (0.62) PTPN1PTPN2ALDH1A1KITKDR

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 2100/4885ALDH1A1 863/4885

“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.