SCHEMBL13244709

SCHEMBL13244709

O=C1CN(C(=O)c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)CCN1O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.58
▸ HPGD P15428 1/20 0.57
▸ MMP13 P45452 6/20 0.52
▸ MMP2 P08253 5/20 0.52
▸ MMP9 P14780 5/20 0.52
▸ MMP8 P22894 5/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ GAA P10253 1/20 0.48

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
SCHEMBL13266880 0.90 HRH3 (0.61) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL13244713 0.78 MMP2 (0.47) HRH3MMP13MMP2MMP8
SCHEMBL255145 0.77 MMP13 (0.57) HPGDMMP13MMP2MMP9MMP8
SCHEMBL1014002 0.77 HPGD (0.86) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL27805648 0.76 MMP13 (0.56) HRH3HPGDMMP13MMP2MMP9
SCHEMBL15382483 0.76 MMP2 (0.49) HRH3MMP13MMP2MMP9MMP8
SCHEMBL13244710 0.75 KDM4E (0.63) MMP13MMP2MMP9MMP8SMN1; SMN2
SCHEMBL1450838 0.75 HRH3 (0.78) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL13636330 0.74 HRH3 (1.00) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL3456205 0.73 HPGD (1.00) HRH3HPGDSMN1; SMN2USP2TSHR

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 4 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

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 HRH3 4192/4885HPGD 307/4885MMP13 2049/4885

“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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