SCHEMBL25653364

SCHEMBL25653364

O=C(c1ccc(-c2cccnc2)cc1)N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 3/20 0.71
▸ MKNK2 Q9HBH9 3/20 0.71
▸ ABL1 P00519 3/20 0.64
▸ BCR P11274 3/20 0.64
▸ RIPK1 Q13546 1/20 0.57
▸ HPGD P15428 3/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ PHGDH O43175 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ PIK3CA P42336 1/20 0.53
▸ SLC6A7 Q99884 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
Nicopholine SCHEMBL11483977 0.84 PKM (0.61) HPGDALDH1A1MAPTMEN1KMT2A
Nicopholine SCHEMBL29915283 0.84 PKM (0.61) HPGDALDH1A1MAPTMEN1KMT2A
Nicopholine SCHEMBL967933 0.84 PKM (0.61) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL8150805 0.84 HPGD (0.76) HPGDALDH1A1PHGDHSLC6A7MAPT
SCHEMBL27857429 0.83 HPGD (0.71) RIPK1HPGDALDH1A1PHGDHMEN1
SCHEMBL3585560 0.80 SLC6A7 (0.78) MKNK1MKNK2ABL1BCRALDH1A1
SCHEMBL31699695 0.79 ALDH1A1 (0.56) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL31428744 0.79 HPGD (0.53) MKNK1MKNK2ABL1BCRRIPK1
SCHEMBL15754906 0.78 PHGDH (0.66) HPGDALDH1A1PHGDHMAPTKMT2A
SCHEMBL11992445 0.78 CYP11B2 (0.55) MKNK1MKNK2HPGDALDH1A1PHGDH

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-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer SAMSUNG LIFE PUBLIC WELFARE FOUNDATION (KR) 2023-06-15 — — 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-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer LRRK2, FABP7, PARK7 MKNK1 722/4885MKNK2 549/4885ABL1 1622/4885

“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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