SCHEMBL17318293

SCHEMBL17318293

O=[N+]([O-])CCCC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SIGMAR1 Q99720 3/20 0.40
CEL P19835 2/20 0.34
METAP1 P53582 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX1 P07099 1/20 0.33
TSHR P16473 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL17318294 0.98 CYP1A2 (0.46) NOS3NOS1NOS2CYP1A2ALDH1A1
SCHEMBL11048308 0.93 SIGMAR1 (0.43) NOS3NOS1NOS2CYP1A2ALDH1A1
SCHEMBL11527036 0.86 NOS3 (0.50) NOS3NOS1NOS2CYP1A2ALDH1A1
SCHEMBL3962160 0.84 NOS3 (0.49) NOS3NOS1NOS2CYP1A2ALDH1A1
SCHEMBL8201975 0.81
SCHEMBL11530187 0.75
SCHEMBL9218437 0.75 NOS3 (0.42) NOS3NOS1NOS2CYP1A2SIGMAR1
SCHEMBL18811760 0.75 NOS3 (0.42) NOS3NOS1NOS2CYP1A2ALDH1A1
SCHEMBL324846 0.71 SIGMAR1 (0.65) CYP1A2SIGMAR1CELEPHX1
SCHEMBL9452653 0.70

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-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
WO-2015188085-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2015-12-10 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 (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 NOS3 108/4885NOS1 146/4885NOS2 89/4885
US-10987322-B2 Immunoregulatory agents IDO1, IDO2, INMT NOS3 108/4885NOS1 146/4885NOS2 89/4885

“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.