SCHEMBL12522736

SCHEMBL12522736

Cc1ccccc1/C=N/C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ GAA P10253 2/20 0.36
▸ GMNN O75496 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ MAPK1 P28482 2/20 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
SCHEMBL29219560 1.00 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1HPGDHTT
SCHEMBL410414 0.83 ALDH1A1 (0.45) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL31477679 0.83 NPC1 (0.46) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL10216723 0.80 GRIN2D (0.47) ALDH1A1LMNARAB9ANPC1MAPT
SCHEMBL887447 0.78 MAPT (0.44) LMNAL3MBTL1SMN1; SMN2KDM4ERAB9A
SCHEMBL3462265 0.78 MAPT (0.44) LMNAL3MBTL1SMN1; SMN2KDM4ERAB9A
SCHEMBL10056240 0.78 MAPT (0.44) LMNAL3MBTL1SMN1; SMN2KDM4ERAB9A
SCHEMBL381142 0.77 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL8870697 0.77 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1HPGDHTT
SCHEMBL13168656 0.74 NPC1 (0.48) ALDH1A1LMNAL3MBTL1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 — — 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-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 ALDH1A1 173/4885LMNA 726/4885L3MBTL1 3441/4885

“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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