SCHEMBL24198783

SCHEMBL24198783

CCC(C)(C)C(=O)c1ccnc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.45
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ RIPK1 Q13546 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ PREP P48147 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ ANO1 Q5XXA6 1/20 0.33
▸ SLC5A1 P13866 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL24198724 0.82 AR (0.50) ARCA12CA9KDM1AHDAC1
SCHEMBL24198786 0.81 TAS1R3 (0.42) ARCA12CA9RIPK1ALDH1A1
SCHEMBL24198770 0.81 TAS1R3 (0.41) RIPK1ALDH1A1LMNA
SCHEMBL30770731 0.76 ATM (0.45) ARCA12CA9KDM1AHDAC1
SCHEMBL568309 0.76 ATM (0.45) ARCA12CA9KDM1AHDAC1
SCHEMBL29567666 0.76 ACHE (0.45) ARKDM1AHDAC1HDAC6ALDH1A1
SCHEMBL22735776 0.76 ACHE (0.45) ARKDM1AHDAC1HDAC6ALDH1A1
Bromide SCHEMBL27949951 0.75 ATM (0.44) ARCA12CA9KDM1AHDAC1
SCHEMBL17441422 0.73 HPGD (0.47) ARCA12CA9KDM1AHDAC1
SCHEMBL21186726 0.73 ACHE (0.46) RIPK1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 — — 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 (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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD AR 4099/4885CA12 4814/4885CA9 4598/4885

“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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