SCHEMBL16355782

SCHEMBL16355782

CN(CC(=O)OC(C)(C)C)c1ccc(OCc2ccccc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAOB P27338 6/20 0.43
▸ MRGPRX4 Q96LA9 2/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ ACVR1 Q04771 1/20 0.42
▸ S1PR5 Q9H228 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ EGFR P00533 4/20 0.41
▸ LTB4R Q15722 1/20 0.40
▸ LTB4R2 Q9NPC1 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ MAOA P21397 1/20 0.40

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
SCHEMBL16355763 0.86 MAOB (0.54) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL16355819 0.85 PTGES (0.38) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL16355726 0.84 ALDH1A1 (0.47) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL13195438 0.79 S1PR1 (0.53) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL15876091 0.78 ALDH1A1 (0.55) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL15876023 0.77 S1PR1 (0.51) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL2627800 0.74 MAOB (0.50) ALDH1A1KMT2AMAOBLTB4RLTB4R2
SCHEMBL17931617 0.74 MAOB (0.74) MAOBMAOA
SCHEMBL13000628 0.74 MAOB (0.42) ALDH1A1KMT2AMAOBALOX5LTB4R
SCHEMBL17923774 0.74 LTB4R (0.58) MAOBALOX5EGFRLTB4RLTB4R2

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 ALDH1A1 2023/4885MEN1 3745/4885NPC1 3118/4885

“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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