SCHEMBL44281

SCHEMBL44281

O=C(NCc1cccc(-c2cn3ccccc3n2)c1)Nc1ccc(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.48
ALDH1A1 P00352 11/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
HPGD P15428 5/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.46
GFER P55789 1/20 0.46
BACE1 P56817 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
MAPK1 P28482 1/20 0.44
F3 P13726 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 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
SCHEMBL44374 0.86 NAMPT (0.45) RAB9ATP53LMNAMAPTKMT2A
SCHEMBL44380 0.80 EPHB4 (0.54) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL46488 0.73 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL6390907 0.71 RAB9A (0.69) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL11668836 0.70 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL44334 0.70 NPC1 (0.49) RAB9ANPC1TP53LMNAMAPT
SCHEMBL25312016 0.69 ALDH1A1 (0.81) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL29484580 0.69 ALDH1A1 (0.81) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL1494832 0.69 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL4727616 0.68 KDM4E (0.82) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
US-7868001-B2 Cytokine inhibitors HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2011-01-11 US disclosed
US-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (CN) 2009-05-07 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-20090118292-A1 such as 2-(3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)imidazo[1,2-b]pyridazine, used for decreasing the levels of tumor necrosis factors or interleukines; treatment of inflammation, autoimmune diseases, diabetes, atherosclerosis and cancer IL1B, IL1A, IL17A KDM4E 1644/4885ALDH1A1 391/4885SMN1; SMN2 4477/4885

“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.