Sugi Predict

Sugi Predict / Compounds / SCHEMBL21652276

SCHEMBL21652276

SCHEMBL21652276

COc1cc(OC)cc(-c2ccccc2N[C@@H](c2ccccc2)[C@@H](Nc2ccccn2)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ VDR P11473 2/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ ABCB1 P08183 2/20 0.40
▸ BCR P11274 2/20 0.40
▸ P4HB P07237 1/20 0.39
▸ ACP1 P24666 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ GLO1 Q04760 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL21652271 0.84 SLC10A1 (0.43) SLC10A1ALDH1A1SMN1; SMN2LMNAALOX12
SCHEMBL21652279 0.84 SLC10A1 (0.45) SLC10A1ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL21652176 0.84 SLC10A1 (0.49) SLC10A1ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL23772944 0.81 SLC10A1 (0.41) SLC10A1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL21652273 0.81 SLC10A1 (0.44) SLC10A1ALDH1A1SMN1; SMN2P4HBKDM4E
SCHEMBL21652272 0.81 SLC10A1 (0.44) SLC10A1ALDH1A1SMN1; SMN2LMNAVDR
SCHEMBL21652278 0.80 SLC10A1 (0.42) SLC10A1ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL21652184 0.79 ABL1 (0.44) ALDH1A1LMNAALOX12ABL1ABCB1
SCHEMBL21652275 0.79 ATP1A1 (0.42) SLC10A1ALDH1A1SMN1; SMN2ALOX12KDM4E
SCHEMBL21652277 0.78 SLC10A1 (0.41) SLC10A1ALDH1A1SMN1; SMN2KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161861-B2 Boron-nitrogen ligand with chiral 1,2-ethylenediamine backbone, and preparation method and use thereof Lanzhou Institute of Chemical Physics, Chinese Academy of Science (CN) 2021-11-02 — — US disclosed
US-20210253606-A1 BORON-NITROGEN LIGAND WITH CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE, AND PREPARATION METHOD AND USE THEREOF SUZHOU RESEARCH INSTITUTE, LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-08-19 — — US disclosed
WO-2020019911-A1 BORON NITROGEN LIGAND BASED ON CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE AND PREPARATION METHOD AND USE THEREOF 中国科学院兰州化学物理研究所苏州研究院 2020-01-30 — — 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 (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-20210253606-A1 BORON-NITROGEN LIGAND WITH CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE, AND PREPARATION METHOD AND USE THEREOF C3AR1, BDKRB1, BDKRB2 SLC10A1 1668/4885ALDH1A1 2200/4885SMN1; SMN2 2956/4885
US-11161861-B2 Boron-nitrogen ligand with chiral 1,2-ethylenediamine backbone, and preparation method and use thereof C3AR1, BDKRB1, BDKRB2 SLC10A1 1668/4885ALDH1A1 2200/4885SMN1; SMN2 2956/4885

“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.