SCHEMBL13244737

SCHEMBL13244737

CC1C(=O)N(Cc2ccc(I)cc2)CC(=O)N1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ THRB P10828 3/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ DPP4 P27487 1/20 0.34

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
SCHEMBL13984676 0.77 HRH3 (0.54) SMN1; SMN2KMT2AALDH1A1LMNAMAPT
SCHEMBL13244758 0.75 MMP13 (0.46) —
SCHEMBL13244956 0.75 OPRK1 (0.46) HDAC6SMN1; SMN2HDAC1HDAC8ALDH1A1
SCHEMBL13244741 0.74 DPP4 (0.39) HDAC6KMT2AHDAC1HDAC8L3MBTL1
SCHEMBL15382485 0.66 LMNA (0.45) KMT2AHDAC1ALDH1A1LMNADPP4
SCHEMBL6140289 0.65 HDAC6 (0.53) HDAC6HDAC1HDAC8
SCHEMBL6140790 0.65 HDAC6 (0.53) HDAC6HDAC1HDAC8
SCHEMBL13673303 0.64 KMT2A (0.52) HDAC6SMN1; SMN2KMT2AHDAC1HDAC8
SCHEMBL256037 0.64 L3MBTL1 (0.65) KMT2AL3MBTL1
SCHEMBL27383398 0.64 L3MBTL1 (0.70) SMN1; SMN2KMT2AL3MBTL1

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-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 — — US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 — — EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HDAC6 552/4885SMN1; SMN2 2202/4885KMT2A 4779/4885

“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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