SCHEMBL13244741

SCHEMBL13244741

O=C1CN(Cc2ccc(I)cc2)C(=O)CN1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.39
▸ ENPP2 Q13822 4/20 0.37
▸ FAAH O00519 1/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PLA2G2A P14555 2/20 0.34
▸ HRH3 Q9Y5N1 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
SCHEMBL15382485 0.75 LMNA (0.45) DPP4FAAHHDAC1MEN1KMT2A
SCHEMBL13244737 0.74 HDAC6 (0.38) DPP4ENPP2HDAC6HDAC1HDAC8
SCHEMBL13267473 0.74 HRH3 (0.60) HDAC1HRH3
SCHEMBL13244713 0.71 MMP2 (0.47) HRH3
SCHEMBL1488276 0.70 L3MBTL1 (0.56) ENPP2HDAC6L3MBTL1MEN1KMT2A
SCHEMBL27383398 0.69 L3MBTL1 (0.70) L3MBTL1HTR2CKMT2AHRH3
SCHEMBL256037 0.69 L3MBTL1 (0.65) L3MBTL1KMT2AHRH3
SCHEMBL15382481 0.67 ALDH1A1 (0.69) L3MBTL1HTR2CMEN1KMT2A
SCHEMBL17360667 0.67 CMA1 (0.59) HDAC6L3MBTL1MEN1KMT2A
SCHEMBL14863940 0.67 HTR2C (0.43) DPP4L3MBTL1HTR2CMEN1KMT2A

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 DPP4 255/4885ENPP2 1802/4885FAAH 2388/4885

“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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