SCHEMBL18366018

SCHEMBL18366018

CCOC(=O)CCCn1c([N+](=O)[O-])cnc1C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.62
▸ LMNA P02545 4/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ THRB P10828 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ EGFR P00533 8/20 0.54
▸ ERBB2 P04626 8/20 0.54
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ CA12 O43570 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ATM Q13315 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GUSB P08236 1/20 0.50

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
SCHEMBL14546086 0.88 LMNA (0.62) GLALMNAALDH1A1MAPK1THRB
SCHEMBL16063143 0.86 GLA (0.68) GLALMNAALDH1A1MAPK1THRB
SCHEMBL10286978 0.85 GLA (0.67) GLALMNAALDH1A1MAPK1THRB
SCHEMBL12396321 0.85 LMNA (0.58) GLALMNAALDH1A1MAPK1THRB
SCHEMBL3767847 0.84 GLA (0.65) GLALMNAALDH1A1MAPK1THRB
SCHEMBL27589945 0.84 GLA (0.68) GLALMNAALDH1A1MAPK1THRB
SCHEMBL14047247 0.83 GLA (0.67) GLALMNAALDH1A1MAPK1THRB
SCHEMBL27589947 0.82 GLA (0.65) GLALMNAALDH1A1MAPK1THRB
SCHEMBL14185055 0.82 GLA (0.65) GLALMNAALDH1A1MAPK1THRB
SCHEMBL28927348 0.82 LMNA (0.76) GLALMNAALDH1A1MAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 — — EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 — — US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 — — US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 — — 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-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 GLA 81/4885LMNA 94/4885ALDH1A1 1195/4885

“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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