SCHEMBL22050849

SCHEMBL22050849

C=C1NC(=O)N(CC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLC6A7 Q99884 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ PLG P00747 2/20 0.40
▸ PLAU P00749 2/20 0.40
▸ PLAT P00750 2/20 0.40
▸ GRIN1 Q05586 4/20 0.39
▸ GRIN2B Q13224 4/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ SLC13A5 Q86YT5 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ SLC1A3 P43003 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LIPG Q9Y5X9 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
SCHEMBL23888897 0.83 GRIN2B (0.46) RAB9ASMN1; SMN2GRIN2B
SCHEMBL24212006 0.77 S1PR5 (0.43) KIF11RAB9ASMN1; SMN2SLC6A7S1PR5
SCHEMBL13774627 0.73 PTPN1 (0.63) KIF11SLC6A7S1PR5PLGPLAU
SCHEMBL18054903 0.71 ALDH1A1 (0.45) KIF11SMN1; SMN2SLC6A7S1PR5GRIN2B
SCHEMBL23877960 0.70 HSD11B1 (0.43) RAB9ASMN1; SMN2S1PR5MGLL
SCHEMBL4589148 0.70 SIGMAR1 (0.48) KIF11SLC6A7S1PR5
Hydrochloric Acid SCHEMBL4588524 0.70 SIGMAR1 (0.47) KIF11SLC6A7S1PR5
SCHEMBL21758282 0.70 KIF11 (0.53) KIF11SLC6A7S1PR5PLGPLAU
SCHEMBL2344585 0.69 RXRA (0.72) KIF11RAB9APLGPLAUPLAT
SCHEMBL29784281 0.69 RXRA (0.72) KIF11RAB9APLGPLAUPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-01-20 — — US disclosed
US-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-01-20 — — US disclosed
EP-3888651-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF Kyushu University, National University Corporation (JP) 2021-10-06 — — EP disclosed
CN-113164444-A DOCK1 inhibiting compounds and uses thereof 国立大学法人九州大学 2021-07-23 — — CN disclosed
WO-2020111252-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF 国立大学法人九州大学 2020-06-04 — — WO 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-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF DOCK2, DOCK11, DOCK5 KIF11 1184/4885RAB9A 406/4885SMN1; SMN2 1484/4885

“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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