Sugi Predict

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SCHEMBL621678

SCHEMBL621678

COc1ccc2ncc(C(=O)OC[C@H]3CC[C@H](N(C)Cc4ccc5c(c4)OCCO5)CC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ KCNH2 Q12809 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ HPGDS O60760 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 1/20 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
SCHEMBL621677 1.00 MAOB (0.40) MAOBALDH1A1NPSR1MAPTHTT
SCHEMBL622029 0.91 ALDH1A1 (0.41) MAOBALDH1A1NPSR1MAPTHTT
SCHEMBL622030 0.91 ALDH1A1 (0.41) MAOBALDH1A1NPSR1MAPTHTT
SCHEMBL620700 0.85 KCNH2 (0.55) ALDH1A1NPSR1MAPTHTTCLK1
SCHEMBL620701 0.85 KCNH2 (0.55) ALDH1A1NPSR1MAPTHTTCLK1
SCHEMBL620720 0.77 ALDH1A1 (0.46) MAOBALDH1A1F2GLAHPGD
SCHEMBL620719 0.77 ALDH1A1 (0.46) MAOBALDH1A1F2GLAHPGD
SCHEMBL620362 0.72 KCNH2 (0.54) KCNH2SLC2A1
SCHEMBL620363 0.72 KCNH2 (0.54) KCNH2SLC2A1
SCHEMBL10226463 0.71 KCNH2 (0.61) KCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 — — US claimed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 — — US claimed
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 — — US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 — — US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 — — US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 — — US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 — — US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 — — 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 (3 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 MAOB 1783/4885ALDH1A1 4235/4885NPSR1 1345/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAOB 2210/4885ALDH1A1 4353/4885NPSR1 2197/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MAOB 2210/4885ALDH1A1 4353/4885NPSR1 2197/4885

“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.