SCHEMBL13562845

SCHEMBL13562845

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.39
▸ HDAC3 O15379 5/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HPGD P15428 3/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 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
SCHEMBL13562889 0.92 NAMPT (0.37) NAMPTHDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL13563544 0.85 NAMPT (0.39) NAMPTHDAC3HDAC1HDAC2HPGD
SCHEMBL13562838 0.82 EPHX1 (0.44) NAMPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13562840 0.80 LMNA (0.49) NAMPTHPGDCYP1A2CYP2C19SMN1; SMN2
SCHEMBL28801302 0.80 EPHX2 (0.49) HDAC3HDAC1HDAC2HPGDCYP1A2
SCHEMBL13563548 0.78 ALDH1A1 (0.50) POLBALDH1A1LMNAGAAHTT
SCHEMBL13562843 0.78 KMT2A (0.34) SMN1; SMN2MEN1KMT2AALDH1A1TP53
SCHEMBL8895813 0.75 SMN1; SMN2 (0.56) HDAC3HDAC1HDAC2HPGDCYP2C9
SCHEMBL8897418 0.75 SMN1; SMN2 (0.56) HDAC3HDAC1HDAC2HPGDCYP2C9
Hydrochloric Acid SCHEMBL4471650 0.75 ESR1 (0.46) HDAC3HDAC1HDAC2ALDH1A1TP53

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-9150504-B2 Fatty acid guanidine and salicylate guanidine derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-10-06 — — US 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 577/4885HDAC3 841/4885HDAC1 2007/4885

“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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