SCHEMBL6698306

SCHEMBL6698306

NCCCCCCCCCCN=C(N)N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 1.00
CYP1A2 P05177 1/20 0.94
ALOX15 P16050 1/20 0.94
NFKB1 P19838 1/20 0.94
MAOA P21397 1/20 0.94
MAOB P27338 1/20 0.94
BLM P54132 1/20 0.74
PMP22 Q01453 1/20 0.74
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL29454036 1.00 DHPS (1.00) DHPSCYP1A2ALOX15NFKB1MAOA
SCHEMBL6698421 1.00 DHPS (1.00) DHPSCYP1A2ALOX15NFKB1MAOA
SCHEMBL6700147 1.00 DHPS (1.00) DHPSCYP1A2ALOX15NFKB1MAOA
SCHEMBL6693210 1.00 DHPS (1.00) DHPSCYP1A2ALOX15NFKB1MAOA
Agmatine SCHEMBL195497 0.97
Agmatine SCHEMBL1738246 0.94 CYP1A2 (0.94) DHPSCYP1A2ALOX15NFKB1MAOA
Sulfuric Acid SCHEMBL22440175 0.89 BLM (0.96) DHPSCYP1A2ALOX15NFKB1MAOA
SCHEMBL689587 0.88
SCHEMBL1736310 0.88 DHPS (0.78) DHPSCYP1A2ALOX15NFKB1MAOA
Bromide SCHEMBL11026850 0.86 CYP1A2 (0.79) DHPSCYP1A2ALOX15NFKB1MAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092599-A1 Production process of guanidine derivative containing amido group and salt thereof AJINOMOTO CO., INC. (JP) 2004-05-13 US disclosed
EP-1270552-A2 Production process for a guanidine derivative containing an amido group and for a salt thereof Ajinomoto Co., Inc. (JP) 2003-01-02 EP 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-20040092599-A1 Production process of guanidine derivative containing amido group and salt thereof FASN, GMPS, CEL DHPS 586/4885CYP1A2 2242/4885ALOX15 320/4885

“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.