SCHEMBL25106917

SCHEMBL25106917

CN(I)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.61
KDM4E B2RXH2 3/20 0.59
MAPT P10636 1/20 0.59
DAO P14920 1/20 0.59
HPGD P15428 1/20 0.59
SRD5A2 P31213 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HTR2C P28335 1/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
PDGFRB P09619 4/20 0.53
PDGFRA P16234 4/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
IDO1 P14902 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL29595772 0.86 FLT3 (0.65) FLT3KDM4EMAPTDAOHPGD
SCHEMBL378260 0.86 FLT3 (0.65) FLT3KDM4EMAPTDAOHPGD
Hydrochloric Acid SCHEMBL35211567 0.85 FLT3 (0.62) FLT3KDM4EMAPTDAOHPGD
SCHEMBL3252732 0.81 FLT3 (0.57) FLT3KDM4EMAPTDAOHPGD
SCHEMBL27254679 0.81 KDM4E (0.60) FLT3KDM4EMAPTDAOHPGD
SCHEMBL3246966 0.81 PDGFRB (0.57) FLT3KDM4EMAPTDAOHPGD
SCHEMBL30944769 0.81 KDM4E (0.60) FLT3KDM4EMAPTDAOHPGD
SCHEMBL30641396 0.79 FLT3 (0.59) FLT3KDM4EMAPTDAOHPGD
SCHEMBL4925117 0.79 FLT3 (0.59) FLT3KDM4EMAPTDAOHPGD
SCHEMBL7010607 0.78 FLT3 (0.54) FLT3KDM4EMAPTDAOHPGD

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-20230076435-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-03-09 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-20230076435-A1 MODIFIER OF FOUR-MEMBERED RING DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF GRM4, GRM5, GRIA4 FLT3 2352/4885KDM4E 2742/4885MAPT 1893/4885

“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.