SCHEMBL20460554

SCHEMBL20460554

CC(C)CNC(=O)c1ccc(I)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
HSD17B10 Q99714 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
MAP2K2 P36507 3/20 0.45
MAP2K1 Q02750 3/20 0.45
PRKCZ Q05513 1/20 0.45
IARS2 Q9NSE4 1/20 0.45
HPGD P15428 1/20 0.43
MLYCD O95822 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.43
MAPK14 Q16539 1/20 0.42

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
SCHEMBL20460612 0.83 TP53 (0.50) TP53HSD17B10KMT2AGAATSHR
SCHEMBL12121137 0.83 TP53 (0.50) TP53HSD17B10KMT2AGAATSHR
SCHEMBL3343083 0.82 ALDH1A1 (0.51) TP53HSD17B10KMT2AGAATSHR
SCHEMBL14547912 0.82 TP53 (0.49) TP53HSD17B10KMT2AGAATSHR
SCHEMBL17993972 0.80 ALDH1A1 (0.46) TP53GAAHTTMAP2K2MAP2K1
SCHEMBL10330509 0.78 LMNA (0.58) HSD17B10KMT2AGAAHPGDSMN1; SMN2
SCHEMBL14915770 0.77 GAA (0.56) GAAHTTMAP2K2MAP2K1GPR27
SCHEMBL24801418 0.73 TP53 (0.63) TP53HSD17B10KMT2AGAATSHR
SCHEMBL25976159 0.72 GAA (0.78) HSD17B10KMT2AGAAHPGDMLYCD
SCHEMBL20460549 0.72 MAP2K2 (0.38) GAAMAP2K2MAP2K1MLYCDGPR27

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-10550073-B2 Benzamide derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-02-04 US disclosed
EP-3357916-A1 BENZAMIDE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2018-08-08 EP 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-10550073-B2 Benzamide derivative CYP3A5, ABCB1, CYP2D6 TP53 3242/4885HSD17B10 1894/4885KMT2A 631/4885

“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.