SCHEMBL2404213

SCHEMBL2404213

Cc1ccc(B(OCCN2CCNCC2)c2ccc(C)c(Cl)c2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL2408399 0.90 NPC1 (0.41) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2406071 0.86 SMN1; SMN2 (0.45) SIGMAR1KDM4EALDH1A1KMT2A
SCHEMBL12319348 0.85 SMN1; SMN2 (0.38) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL5380967 0.80 SIGMAR1 (0.44) SIGMAR1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL1555898 0.80 NPC1 (0.41) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2408397 0.79 TAAR1 (0.35) CYP2D6
SCHEMBL13476066 0.74 HPGD (0.49) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2408889 0.73 HPGD (0.51) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL12270487 0.73 SSTR2 (0.43) —
SCHEMBL12270761 0.72 LYPLA1 (0.48) KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — US disclosed
WO-2010018836-A2 POLYGLUTAMINE AGGREGATION INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 — — WO disclosed
WO-2010018837-A2 PROTEIN CROSS-LINKING INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 — — WO disclosed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 — — US disclosed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 — — 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 SIGMAR1 2136/4885KDM4E 1022/4885ALDH1A1 4540/4885

“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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