SCHEMBL3447288

SCHEMBL3447288

O=C(O)/N=C/c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ GRIN2D O15399 2/20 0.50
▸ GRIN3B O60391 2/20 0.50
▸ GRIN1 Q05586 2/20 0.50
▸ GRIN2A Q12879 2/20 0.50
▸ GRIN2B Q13224 2/20 0.50
▸ GRIN2C Q14957 2/20 0.50
▸ GRIN3A Q8TCU5 2/20 0.50
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL3447291 1.00 ALDH1A1 (0.51) ALDH1A1LMNAHPGDGRIN2DGRIN3B
SCHEMBL3446661 0.85 LMNA (0.54) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL3446663 0.85 LMNA (0.54) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL10754033 0.84 GRIN2D (0.50) ALDH1A1LMNAHPGDGRIN2DGRIN3B
Acetic Acid SCHEMBL8397466 0.77 HPGD (0.49) ALDH1A1LMNAHPGDGRIN2DGRIN3B
Acetic Acid SCHEMBL8397471 0.77 HPGD (0.49) ALDH1A1LMNAHPGDGRIN2DGRIN3B
SCHEMBL27571486 0.74 ALDH1A1 (0.44) ALDH1A1LMNAHPGDGRIN2DGRIN3B
SCHEMBL410414 0.74 ALDH1A1 (0.45) ALDH1A1LMNAHPGDGRIN2DGRIN3B
SCHEMBL1776974 0.74 GRIN2D (0.57) ALDH1A1LMNAHPGDGRIN2DGRIN3B
SCHEMBL30862631 0.74 GRIN2D (0.57) ALDH1A1LMNAHPGDGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796324-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 — — US disclosed
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 — — US disclosed
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 — — US disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 — — 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 (2 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-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 ALDH1A1 173/4885LMNA 726/4885HPGD 782/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 ALDH1A1 173/4885LMNA 726/4885HPGD 782/4885

“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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