SCHEMBL420323

SCHEMBL420323

NC1CCCC1N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP2D6 P10635 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ PKM P14618 1/20 0.34
▸ SLC18A3 Q16572 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL3 Q96JM7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ARG1 P05089 1/20 0.32
▸ ARG2 P78540 1/20 0.32

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
SCHEMBL420324 1.00 TDP1 (0.40) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL6910654 1.00 TDP1 (0.40) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL11472496 0.95 MEN1 (0.45) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL6909004 0.95 MEN1 (0.45) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL7343176 0.95 MEN1 (0.45) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL495718 0.95 MEN1 (0.45) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL14393808 0.95 MEN1 (0.45) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL20752154 0.92 TDP1 (0.48) TDP1CYP2D6MEN1KMT2ALMNA
SCHEMBL21799607 0.92 TDP1 (0.43) TDP1CYP2D6MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL419829 0.92 TDP1 (0.43) TDP1CYP2D6MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470498-B1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-02-11 — — EP disclosed
US-8404673-B2 Carbocyclic GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 — — US disclosed
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS KOLCZEWSKI SABINE (DE) 2012-01-26 — — US disclosed
US-8080541-B2 Carbocyclic GlyT-1 receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2011-12-20 — — US disclosed
US-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 — — US disclosed
EP-0656353-B1 Aminochinoline derivates useful in the treatment of malaria HOFFMANN LA ROCHE (CH) 1998-06-03 — — EP disclosed
US-5596002-A TREATMENT OF ANTIBIOTIC RESISTANT MICROORGANISMS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 — — US disclosed
EP-0656353-A1 Aminochinoline derivates useful in the treatment of malaria F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 — — EP 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-20110053904-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 TDP1 1106/4885CYP2D6 1024/4885MEN1 4523/4885
US-20120022042-A1 CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS GRIA1, GLRA1, GRIA3 TDP1 1106/4885CYP2D6 1024/4885MEN1 4523/4885

“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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