SCHEMBL16355819

SCHEMBL16355819

CN(CC(=O)N(CC(=O)OC(C)(C)C)Cc1cccc(C(C)(C)C)c1)c1ccc(OCc2ccccc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ NR4A1 P22736 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ NR4A3 Q92570 1/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSPO P30536 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PDGFRA P16234 1/20 0.35

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
SCHEMBL16355782 0.85 ALDH1A1 (0.45) RAB9AMEN1KMT2AALDH1A1MRGPRX4
SCHEMBL16355821 0.78 LTB4R (0.43) CACNA1BNR4A1NR4A2NR4A3PKM
SCHEMBL16355879 0.78 BCHE (0.42) NR4A1NR4A2NR4A3PKMALDH1A1
SCHEMBL16355778 0.77 SLC7A5 (0.39) MRGPRX4CTSLCTSBCTSS
SCHEMBL16355763 0.74 MAOB (0.54) RAB9AMEN1KMT2AALDH1A1MRGPRX4
SCHEMBL16355816 0.74 NR4A2 (0.40) NR4A1NR4A2NR4A3RAB9AKMT2A
SCHEMBL16355726 0.73 ALDH1A1 (0.47) NR4A1NR4A2NR4A3RAB9AMEN1
SCHEMBL16355752 0.70 PRSS1 (0.47) RAB9AMEN1KMT2AALDH1A1LTB4R
SCHEMBL24326451 0.70 ACHE (0.41) PTGESCTSLCTSBCTSS
SCHEMBL29570913 0.70 ACHE (0.41) PTGESCTSLCTSBCTSS

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-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 — — US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 — — 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 PTGES 274/4885CACNA1B 4463/4885NR4A1 4528/4885

“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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