SCHEMBL10244880

SCHEMBL10244880

CC(=O)n1ccc2cc(C#N)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.53
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
CDC7 O00311 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
ENPP3 O14638 1/20 0.39
NPY5R Q15761 1/20 0.38
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
GLA P06280 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
PRMT5 O14744 1/20 0.37
DYRK1A Q13627 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
SCHEMBL28417198 0.87 NOTUM (0.53) NOTUMCYP11B1CYP11B2CDC7KDM4E
SCHEMBL2474356 0.85 FFAR4 (0.44) CDC7FFAR4KDM4EALDH1A1HPGD
SCHEMBL30622606 0.85 FFAR4 (0.44) CDC7FFAR4KDM4EALDH1A1HPGD
SCHEMBL13656872 0.82 FFAR4 (0.41) NOTUMCYP11B1CYP11B2CDC7FFAR4
SCHEMBL1876083 0.80 PIK3CD (0.44) CDC7FFAR4HTR6
SCHEMBL23360853 0.79 NOTUM (0.47) NOTUMCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL1248298 0.79 TSHR (0.60) FFAR4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL793815 0.79 NOTUM (0.47) NOTUMCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL16824129 0.78 OXER1 (0.48) CYP11B1CYP11B2CDC7FFAR4KDM4E
SCHEMBL28980345 0.77 DYRK1A (0.40) CDC7FFAR4KDM4EALDH1A1HPGD

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
CN-108752256-B Preparation method of N-acyl indole compound based on carboxylic acid alkenyl ester as acylation reagent 六盘水师范学院 2021-04-13 CN disclosed
CN-108752256-A A kind of N- acyl indol class compounds process for production thereof based on alkenyl carboxylate as acylting agent 六盘水师范学院 2018-11-06 CN disclosed
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS NOTUM 1938/4885CYP11B1 1255/4885CYP11B2 1688/4885

“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.