SCHEMBL6885545

SCHEMBL6885545

CC1CCC(C(=O)Nc2ccc(-c3ncc(-c4ccc(C(=O)NC5CCCCCC5)cc4)[nH]3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ATR Q13535 1/20 0.43
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 2/20 0.41
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.40
SCN3A Q9NY46 2/20 0.40

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
SCHEMBL6028629 0.93 PTPN1 (0.50) ABL1JAK2JAK1SMN1; SMN2PTPN1
SCHEMBL6027061 0.93 PTPN1 (0.50) ABL1JAK2JAK1SMN1; SMN2PTPN1
SCHEMBL6029160 0.89 PTPN1 (0.54) JAK1SMN1; SMN2PTPN1PTPN2KDM4E
SCHEMBL6028319 0.89 PTPN1 (0.54) JAK1SMN1; SMN2PTPN1PTPN2KDM4E
SCHEMBL6028026 0.87 KMT2A (0.43) SMN1; SMN2PTPN1MEN1KMT2AKDM4E
SCHEMBL6886575 0.85 NPC1 (0.43) JAK2KMT2AKDM4ENPC1RAB9A
SCHEMBL6883824 0.85 KMT2A (0.53) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL6885314 0.85 NPC1 (0.53) JAK2PTPN1PTPN2KMT2ANPC1
SCHEMBL6026031 0.84 MEN1 (0.52) SMN1; SMN2PTPN1PTPN2MEN1KMT2A
SCHEMBL6886834 0.83 KMT2A (0.53) JAK2SMN1; SMN2MEN1KMT2AKDM4E

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 ABL1 17/4885JAK2 74/4885JAK1 118/4885

“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.