SCHEMBL17318344

SCHEMBL17318344

O=[N+]([O-])CCC1CCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 2/20 0.35
HCAR3 P49019 1/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6293625 0.90
SCHEMBL8760246 0.79
SCHEMBL28326283 0.76
SCHEMBL2002222 0.75 EPHX1 (0.42) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL5799232 0.74 NOS3 (0.44) ALDH1A1NOS3NOS1NOS2SMN1; SMN2
SCHEMBL6097742 0.73 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL27865730 0.72 KMT2A (0.43) KEAP1NFE2L2KDM4EALDH1A1KMT2A
SCHEMBL28424185 0.72 SLC6A2 (0.37) NOS3NOS1NOS2
SCHEMBL1356869 0.72
Lithium Ion SCHEMBL6666002 0.72

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-10987322-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20170112785-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2017-04-27 US disclosed
EP-3151820-A1 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-04-12 EP disclosed
CN-106535884-A Immunoregulatory agents 弗雷克萨斯生物科学公司 2017-03-22 CN disclosed
WO-2015188085-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2015-12-10 WO disclosed
CN-1190390-A Nitric oxide synthase inhibitors derived from cyclic amidines SEARLE & CO (US) 1998-08-12 CN 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 (2 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-20170112785-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT KEAP1 138/4885NFE2L2 140/4885KDM4E 2099/4885
US-10987322-B2 Immunoregulatory agents IDO1, IDO2, INMT KEAP1 138/4885NFE2L2 140/4885KDM4E 2099/4885

“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.