SCHEMBL3603087

SCHEMBL3603087

N=C(N)NCCC[CH]C(=O)NO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
ALB P02768 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL3514889 0.82 ALOX15 (0.42) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3977924 0.81 ALOX15 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL10772553 0.77 ALOX15 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL261594 0.74
SCHEMBL6135863 0.73 ALOX15 (0.35) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9772166 0.72 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9772165 0.72 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL5149959 0.71
Bicarbonate SCHEMBL9192764 0.71 ALOX15 (0.48) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL6085112 0.70 HDAC3 (0.40) KMT2ASMN1; SMN2

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-20120269864-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2012-10-25 US disclosed
US-8227606-B2 Arginine derivatives with NP-1 antagonistic activity ARK THERAPEUTICS, LTD. (GB) 2012-07-24 US disclosed
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY GB06/019611.7 THERAPIES LIMITED (GB) 2012-05-17 US disclosed
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity GB06/019611.7 THERAPIES LIMITED (GB) 2010-01-28 US disclosed
EP-2084140-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY Ark Therapeutics Ltd. (GB) 2009-08-05 EP disclosed
WO-2008040979-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY ARK THERAPEUTICS LTD. (GB) 2008-04-10 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 (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-20120269864-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 ALOX15 3330/4885MEN1 1643/4885CYP1A2 2600/4885
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 ALOX15 3330/4885MEN1 1643/4885CYP1A2 2600/4885
US-20100022525-A1 Arginine Derivatives with NP-I Antagonistic Activity NPFFR1, NPR1, ARG1 ALOX15 3330/4885MEN1 1643/4885CYP1A2 2600/4885

“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.