Sugi Predict

Sugi Predict / Compounds / SCHEMBL2404972

SCHEMBL2404972

SCHEMBL2404972

NCCNCCOB(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.67
▸ TDP1 Q9NUW8 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ ALOX15 P16050 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ TRPM2 O94759 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ THRB P10828 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ ALOX12 P18054 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ DRD2 P14416 6/20 0.43
▸ DRD4 P21917 6/20 0.43
▸ DRD3 P35462 6/20 0.43
▸ ORAI1 Q96D31 1/20 0.39
▸ ORAI2 Q96SN7 1/20 0.39
▸ ORAI3 Q9BRQ5 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
SCHEMBL12266303 0.91 ALDH1A1 (0.56) ALDH1A1TDP1MEN1KMT2AALOX15
SCHEMBL12270959 0.91 KDM4E (0.56) ALDH1A1TDP1MEN1KMT2AALOX15
SCHEMBL12270643 0.88 KDM4E (0.56) ALDH1A1TDP1MEN1KMT2AALOX15
SCHEMBL12266308 0.88 ALDH1A1 (0.53) ALDH1A1TDP1MEN1KMT2AALOX15
SCHEMBL2399067 0.85 KDM4E (0.49) ALDH1A1TDP1MEN1KMT2AALOX15
SCHEMBL341835 0.81 KDM4E (1.00) ALDH1A1TDP1MEN1KMT2AALOX15
SCHEMBL2412888 0.79 KDM4E (0.96) ALDH1A1TDP1MEN1KMT2AALOX15
SCHEMBL2398937 0.76 KDM4E (0.38) ALDH1A1TDP1MEN1KMT2AALOX15
SCHEMBL18782421 0.76 KDM4E (0.57) ALDH1A1TDP1MEN1KMT2AALOX15
SCHEMBL2410144 0.76 KDM4E (0.88) ALDH1A1TDP1MEN1KMT2AALOX15

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 ALDH1A1 4540/4885TDP1 1492/4885MEN1 3255/4885

“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.