SCHEMBL10157134

SCHEMBL10157134

CC(C)=CC(=O)NCc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 1/20 0.56
HTT P42858 3/20 0.55
CYP2C9 P11712 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 1/20 0.51
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 1/20 0.47

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
SCHEMBL2695687 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EHTTSMN1; SMN2RAB9A
SCHEMBL5358931 0.82 CYP2C9 (0.75) ALDH1A1HTTCYP2C9SMN1; SMN2RAB9A
SCHEMBL7672594 0.82 CYP2C9 (0.75) ALDH1A1HTTCYP2C9SMN1; SMN2RAB9A
SCHEMBL10157136 0.81 USP2 (0.65) ALDH1A1KDM4EHTTCYP2C9SMN1; SMN2
SCHEMBL12707584 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EHTTSMN1; SMN2RAB9A
SCHEMBL48578 0.80 HTT (0.64) ALDH1A1HTTSMN1; SMN2RAB9AGAA
SCHEMBL10157126 0.79 HPGD (0.56) ALDH1A1KDM4EHTTCYP2C9SMN1; SMN2
SCHEMBL2695729 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EHTTSMN1; SMN2RAB9A
SCHEMBL10157129 0.79 MEN1 (0.59) ALDH1A1HTTCYP2C9SMN1; SMN2RAB9A
SCHEMBL774432 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EHTTSMN1; SMN2RAB9A

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 ALDH1A1 809/4885KDM4E 4485/4885HTT 382/4885

“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.