SCHEMBL31421815

SCHEMBL31421815

O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CCCCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.52
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ PSMB8 P28062 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ EPHX1 P07099 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ AAK1 Q2M2I8 1/20 0.45
▸ TMPRSS4 Q9NRS4 1/20 0.44
▸ SCN3A Q9NY46 2/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ FPR3 P25089 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ TERT O14746 1/20 0.42

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
SCHEMBL13256817 0.87 ULK1 (0.53) ULK1PSMB8AAK1SCN3ASCN9A
SCHEMBL13256812 0.84 ULK1 (0.53) ULK1PSMB8AAK1SCN3ASCN9A
SCHEMBL29640005 0.82 KDR (0.57) ULK1MAPTMEN1KMT2ANPSR1
SCHEMBL850437 0.79 HTT (0.62) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL38659273 0.79 PSMB8 (0.51) ULK1PSMB8AAK1SCN3ASCN9A
SCHEMBL9892929 0.79 AR (0.49) ULK1PSMB8
SCHEMBL31148172 0.78 ULK1 (0.55) ULK1MEN1KMT2APSMB8EPHX1
Hydrochloric Acid SCHEMBL31148078 0.77 SCN3A (0.56) ULK1MEN1KMT2APSMB8EPHX1
SCHEMBL9892891 0.76 EPHX2 (0.52) ULK1PSMB8
Trifluoroacetic Acid SCHEMBL38657934 0.76 PSMB8 (0.48) ULK1PSMB8AAK1SCN3ASCN9A

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-20250177412-A1 SMALL-MOLECULE INHIBITORS TARGETING THE BOB1/OCT1 INTERFACE NANTES UNIVERSITE (FR) 2025-06-05 — — US disclosed
CN-119585253-A Small molecule inhibitor targeting BOB1/OCT1 interface 南特大学 2025-03-07 — — CN 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-20250177412-A1 SMALL-MOLECULE INHIBITORS TARGETING THE BOB1/OCT1 INTERFACE POU2F1, POU5F1, LEF1 ULK1 4538/4885MAPT 2095/4885MEN1 1106/4885

“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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