Sugi Predict

Sugi Predict / Compounds / SCHEMBL2408889

SCHEMBL2408889

SCHEMBL2408889

Cc1ccc(B(OCCN)c2ccc(B(OCCN)c3ccc(C)c(Cl)c3)cc2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TRPM2 O94759 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL13476066 0.98 HPGD (0.49) HPGDALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL12266241 0.95 CYP3A4 (0.47) HPGDALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL12266327 0.92 CYP3A4 (0.44) HPGDALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL14503447 0.85 KMT2A (0.49) HPGDALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL12266187 0.81 CYP1A2 (0.51) HPGDALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL2408157 0.80 MEN1 (0.50) HPGDALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL12270761 0.79 LYPLA1 (0.48) ALDH1A1CYP3A4KDM4ETDP1DRD2
SCHEMBL2408399 0.78 NPC1 (0.41) ALDH1A1CYP1A2KDM4EMEN1MAPK1
SCHEMBL14503486 0.78 KDM4E (0.45) HPGDALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL2406855 0.77 KDM4E (0.65) HPGDALDH1A1CYP3A4CYP1A2KDM4E

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
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-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
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

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 HPGD 3292/4885ALDH1A1 4540/4885CYP3A4 3743/4885

“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.