SCHEMBL2572186

SCHEMBL2572186

CCN(CC)C(=O)c1ccc(B(O)O)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HPGD P15428 8/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.38
▸ MLYCD O95822 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HSP90AA1 P07900 3/20 0.36
▸ HSP90AB1 P08238 3/20 0.36

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
SCHEMBL28322738 0.83 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL4148614 0.77 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL11984361 0.75 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL10258086 0.75 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL27537638 0.74 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL217943 0.74 LMNA (0.48) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL29954728 0.72 HDAC3 (0.55) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL14748304 0.72 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL11977459 0.72 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL1588116 0.72 HPGD (0.51) ALDH1A1NPC1RAB9AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 — — US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 — — US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 — — EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 — — US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 — — EP 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 ALDH1A1 2997/4885NPC1 543/4885RAB9A 1616/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 ALDH1A1 2997/4885NPC1 543/4885RAB9A 1616/4885

“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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