SCHEMBL1343538

SCHEMBL1343538

N=C(N)NCCC[C@H](NCC1CCCO1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPGD P15428 6/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 2/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ANPEP P15144 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
SCHEMBL1343537 1.00 USP2 (0.43) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL18075699 0.77 EPHX2 (0.35) SMN1; SMN2
SCHEMBL1345212 0.75 USP2 (0.40) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL144726 0.74 GGT1 (0.40) SMN1; SMN2MEN1KMT2A
SCHEMBL28080169 0.73 C3AR1 (0.39) SMN1; SMN2MEN1KMT2A
SCHEMBL1149706 0.73 NOD1 (0.43) SMN1; SMN2MEN1KMT2A
SCHEMBL2438028 0.73 C3AR1 (0.39) SMN1; SMN2MEN1KMT2A
SCHEMBL10310295 0.73 SMN1; SMN2 (0.54) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL7628167 0.72 EPHX2 (0.37) SMN1; SMN2MEN1KMT2A
SCHEMBL1345737 0.72 EPHX2 (0.37) SMN1; SMN2MEN1KMT2A

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-1828109-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2013-06-05 — — EP disclosed
US-8063104-B2 Guanidine derivatives as inhibitors of DDAH UCL BUSINESS PLC (GB) 2011-11-22 — — US disclosed
US-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL Biomedica PLC c/o Finance Division University College of London (GB) 2009-03-12 — — US disclosed
EP-1828109-A2 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL Business PLC (GB) 2007-09-05 — — EP disclosed
WO-2006051314-A2 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2006-05-18 — — 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-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH DDAH1, DOHH, IMPDH1 USP2 1294/4885SMN1; SMN2 1730/4885HPGD 148/4885

“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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