SCHEMBL22824348

SCHEMBL22824348

Nc1ccc(-c2cccc(OCCN3CCCCC3)c2)cn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.68
▸ LTA4H P09960 4/20 0.66
▸ HRH3 Q9Y5N1 7/20 0.57
▸ MAP4K4 O95819 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ GAK O14976 1/20 0.49
▸ DYRK3 O43781 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ NQO2 P16083 1/20 0.49
▸ CSNK2A2 P19784 1/20 0.49
▸ FECH P22830 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49

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
SCHEMBL29711611 0.88 PRKAB2 (0.57) BACE1LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL18996610 0.88 PRKAB2 (0.57) BACE1LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL22164589 0.80 LTA4H (0.59) LTA4HHRH3CHRNB2CHRNA4
SCHEMBL18291218 0.79 LTA4H (0.60) LTA4HHRH3KDM4ECHRNB2CHRNA4
SCHEMBL8266135 0.78 BACE1 (0.77) BACE1LTA4HHRH3KDM4EALDH1A1
SCHEMBL12439987 0.78 LTA4H (0.62) BACE1LTA4HHRH3MAP4K4SMN1; SMN2
SCHEMBL15154833 0.78 LTA4H (0.58) BACE1LTA4HHRH3MAP4K4KDM4E
SCHEMBL3216190 0.77 LTA4H (0.79) BACE1LTA4HHRH3KDM4EALDH1A1
SCHEMBL3209561 0.77 LTA4H (0.79) BACE1LTA4HHRH3KDM4EALDH1A1
SCHEMBL14451861 0.77 LTA4H (0.70) BACE1LTA4HHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129813-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2021-09-28 — — US disclosed
US-20200397758-A1 Antimitotic Amides for the Treatment of Cancer and Proliferative Disorders FROST BIOLOGIC, INC. 2020-12-24 — — 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 (2 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-11129813-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 BACE1 4732/4885LTA4H 4486/4885HRH3 105/4885
US-20200397758-A1 Antimitotic Amides for the Treatment of Cancer and Proliferative Disorders CCNA1, CCNE1, CCNB1 BACE1 4732/4885LTA4H 4486/4885HRH3 105/4885

“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.

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