SCHEMBL10157137

SCHEMBL10157137

CC(C)=CC(=O)NC(CO)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ PAK4 O96013 1/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PHGDH O43175 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GPR88 Q9GZN0 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL16257019 0.81 TGM2 (0.49) HTTPAK4RIPK1FAAHALDH1A1
SCHEMBL10157138 0.80 HTT (0.54) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL27813795 0.77 CNR2 (0.45) MEN1KMT2AHTTPAK4RIPK1
SCHEMBL4070072 0.77 CNR2 (0.45) MEN1KMT2AHTTPAK4RIPK1
SCHEMBL4076705 0.77 CNR2 (0.45) MEN1KMT2AHTTPAK4RIPK1
SCHEMBL31037004 0.76 SLC6A9 (0.47) MEN1KMT2ASMN1; SMN2HTTRIPK1
SCHEMBL13070922 0.76 FAAH (0.49) MEN1KMT2AHTTRIPK1FAAH
SCHEMBL10280595 0.74 EGFR (0.56) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL7891599 0.73 ITGB3 (0.38) HTTPAK4
SCHEMBL1463347 0.72 CTSS (0.48) MEN1KMT2ASMN1; SMN2HTTRIPK1

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-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 — — US disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 — — 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-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF TRPA1, TRPV1, CACNA1B MEN1 2796/4885KMT2A 4025/4885SMN1; SMN2 2423/4885

“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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