SCHEMBL10708175

SCHEMBL10708175

O=C(O)NCCNC(=O)c1cccc(Br)n1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ LMNA P02545 2/20 0.54
▸ GRM5 P41594 1/20 0.52
▸ CTSA P10619 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ P2RX7 Q99572 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ HIF1A Q16665 1/20 0.40

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
SCHEMBL3024050 0.94 HPGD (0.62) ALDH1A1HPGDLMNAGRM5CTSA
SCHEMBL14371962 0.87 ALDH1A1 (0.65) ALDH1A1HPGDLMNAGRM5CTSA
SCHEMBL24150763 0.86 ALDH1A1 (0.60) ALDH1A1HPGDLMNAGRM5CTSA
SCHEMBL3505447 0.84 ALDH1A1 (0.61) ALDH1A1HPGDLMNAGRM5CTSA
Hydrochloric Acid SCHEMBL10707808 0.83 ALDH1A1 (0.60) ALDH1A1HPGDLMNAGRM5CTSA
SCHEMBL10707099 0.82 P2RX7 (0.65) ALDH1A1HPGDLMNAGRM5CTSA
SCHEMBL24742211 0.81 ALDH1A1 (0.58) ALDH1A1HPGDLMNAGRM5CTSA
SCHEMBL10711134 0.81 LMNA (0.54) ALDH1A1HPGDLMNACTSAKMT2A
SCHEMBL10710858 0.80 CTSA (0.53) ALDH1A1HPGDLMNACTSAKMT2A
SCHEMBL6931 0.80 ALDH1A1 (0.57) ALDH1A1HPGDLMNAGRM5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 — — US disclosed
US-20190345143-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty Ltd (AU) 2019-11-14 — — US disclosed
EP-3555071-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty. Ltd. (AU) 2019-10-23 — — EP disclosed
WO-2018107201-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty Ltd (AU) 2018-06-21 — — WO disclosed
US-4764522-A ANTIDEPRESSANT, ANTIPARKINSON DISEASE HOFFMANN-LA ROCHE INC. (US) 1988-08-16 — — 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 (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-20190345143-A1 HEPARANASE INHIBITORS AND USE THEREOF HPSE, HEXD, ENGASE ALDH1A1 1394/4885HPGD 246/4885LMNA 2952/4885
US-11787783-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE ALDH1A1 1394/4885HPGD 246/4885LMNA 2952/4885

“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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