SCHEMBL13562840

SCHEMBL13562840

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL13562888 0.92 LMNA (0.51) LMNAALDH1A1NPC1RAB9ANR1H4
SCHEMBL13563548 0.85 ALDH1A1 (0.50) LMNAALDH1A1GAAPOLBPKM
SCHEMBL13562842 0.82 NPC1 (0.53) LMNAALDH1A1NPC1RAB9ANR1H4
SCHEMBL13562845 0.80 NAMPT (0.39) LMNAALDH1A1GAACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4470303 0.79 CNR1 (0.50) LMNAALDH1A1GAAPKMHTT
Hydrochloric Acid SCHEMBL4477923 0.79 CNR1 (0.50) LMNAALDH1A1GAAPKMHTT
SCHEMBL28801302 0.79 EPHX2 (0.49) LMNACYP1A2CYP2C19POLBHPGD
SCHEMBL13562846 0.78 LMNA (0.51) LMNAALDH1A1NPC1RAB9ANR1H4
SCHEMBL13563544 0.78 NAMPT (0.39) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL16924907 0.77 NPSR1 (0.55) LMNAALDH1A1NPC1RAB9AGAA

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 LMNA 812/4885ALDH1A1 385/4885NPC1 232/4885

“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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