SCHEMBL3407268

SCHEMBL3407268

Cc1cc(NCC(C)C)nc(Cl)n1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 12/20 0.79
▸ ESR2 Q92731 2/20 0.44
▸ HRH4 Q9H3N8 5/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL9090117 0.84 ESR1 (0.82) ESR1ESR2HRH4
SCHEMBL27333247 0.81 ESR1 (0.53) ESR1ESR2HRH4ALDH1A1L3MBTL1
SCHEMBL20476323 0.79 MAPT (0.50) ESR1ALDH1A1KMT2AMAPTMEN1
SCHEMBL8541019 0.78 ESR1 (0.58) ESR1ESR2HRH4ALDH1A1
SCHEMBL15585264 0.76 TLR8 (0.51) ESR1ESR2ALDH1A1L3MBTL1KMT2A
SCHEMBL11779005 0.76 ESR1 (0.46) ESR1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL11779958 0.76 ESR1 (0.46) ESR1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL20476318 0.76 ALDH1A1 (0.51) ESR1HRH4ALDH1A1L3MBTL1KMT2A
SCHEMBL22228324 0.75 ALDH1A1 (0.54) ESR1HRH4ALDH1A1KMT2AMEN1
SCHEMBL9884955 0.75 SMN1; SMN2 (0.49) ESR1ALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4606806-A1 TRANSITION METAL COMPOUND AND CATALYST COMPOSITION COMPRISING THE SAME LG CHEM, LTD. (KR) 2025-08-27 — — EP disclosed
WO-2024177286-A1 TRANSITION METAL COMPOUND AND CATALYST COMPOSITION COMPRISING SAME 주식회사 엘지화학 2024-08-29 — — WO disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 — — US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 — — EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 — — US disclosed
CN-101952275-A Modulators for amyloid beta HOFFMANN LA ROCHE 2011-01-19 — — CN disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 — — EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 — — US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — 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 (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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB ESR1 4876/4885ESR2 4000/4885HRH4 2013/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB ESR1 4875/4885ESR2 4017/4885HRH4 2204/4885

“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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