SCHEMBL666127

SCHEMBL666127

CCC(C(N)=O)c1ncccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
P2RX7 Q99572 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
FDPS P14324 3/20 0.36
MKNK1 Q9BUB5 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
SCHEMBL895915 0.85 SMN1; SMN2 (0.41) NOS3NOS1NOS2MAPTP2RX7
SCHEMBL3954421 0.83 DPP8 (0.39) P2RX7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL4162406 0.83 TRPM8 (0.37) L3MBTL1P2RX7SMN1; SMN2ALDH1A1LMNA
SCHEMBL4036425 0.80 PLAU (0.44) PLAUL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2431567 0.79 P2RX7 (0.36) P2RX7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL2700570 0.79 TRPM8 (0.43) MAPK1CTNNB1WNT3A
SCHEMBL27615009 0.79 CYP1A2 (0.38) PLAUNOS3NOS1NOS2L3MBTL1
SCHEMBL4030404 0.78 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL3951150 0.78 IDO1 (0.40) P2RX7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL666964 0.77 P2RX7 (0.45) P2RX7SMN1; SMN2ALDH1A1LMNAKDM4E

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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
WO-2011076744-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2011-06-30 WO disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (7 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 PLAU 305/4885NOS3 1333/4885NOS1 1869/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 PLAU 2696/4885NOS3 1816/4885NOS1 2380/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 PLAU 305/4885NOS3 1333/4885NOS1 1869/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 PLAU 2696/4885NOS3 1816/4885NOS1 2380/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 PLAU 3137/4885NOS3 1154/4885NOS1 1576/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 PLAU 305/4885NOS3 1333/4885NOS1 1869/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 PLAU 2696/4885NOS3 1816/4885NOS1 2380/4885

“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.