SCHEMBL13563544

SCHEMBL13563544

CCCCNC(=N)NC(=N)NCc1ccc(NC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.39
▸ HPGD P15428 3/20 0.37
▸ HDAC3 O15379 4/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC2 Q92769 4/20 0.36
▸ LMNA P02545 6/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ALOX12 P18054 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL13562845 0.85 NAMPT (0.39) NAMPTHPGDHDAC3HDAC1HDAC2
SCHEMBL28801302 0.83 EPHX2 (0.49) HPGDHDAC3HDAC1HDAC2LMNA
SCHEMBL13563548 0.81 ALDH1A1 (0.50) LMNAALDH1A1HTTGAA
SCHEMBL13563557 0.80 EPHX1 (0.48) NAMPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL23135380 0.78 ADRA2A (0.37) SMN1; SMN2ALDH1A1
SCHEMBL8897418 0.78 SMN1; SMN2 (0.56) HPGDHDAC3HDAC1HDAC2LMNA
Hydrochloric Acid SCHEMBL4476184 0.78 L3MBTL1 (0.49) HPGDHDAC3HDAC1HDAC2LMNA
Hydrochloric Acid SCHEMBL4471650 0.78 ESR1 (0.46) HDAC3HDAC1HDAC2LMNAALDH1A1
Hydrochloric Acid SCHEMBL4484092 0.78 ESR1 (0.46) HDAC3HDAC1HDAC2LMNAALDH1A1
Hydrochloric Acid SCHEMBL4460799 0.78 L3MBTL1 (0.49) HPGDHDAC3HDAC1HDAC2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150504-B2 Fatty acid guanidine and salicylate guanidine derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
WO-2014106804-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC SYNDROME AND DIABETES KANDULA MAHESH (IN) 2014-07-10 — — WO disclosed
US-20120277305-A1 FATTY ACID GUANIDINE AND SALICYLATE GUANIDINE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-01 — — US 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-20120277305-A1 FATTY ACID GUANIDINE AND SALICYLATE GUANIDINE DERIVATIVES AND THEIR USES SCD, SCD5, FASN NAMPT 577/4885HPGD 612/4885HDAC3 841/4885

“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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