SCHEMBL18100441

SCHEMBL18100441

CC(C)NC(=O)c1cncc(I)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.56
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGDS O60760 1/20 0.43
FOLH1 Q04609 2/20 0.43
MLYCD O95822 1/20 0.40
EIF2S1 P05198 1/20 0.40
EIF2AK3 Q9NZJ5 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
CASP3 P42574 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13932937 0.87 XDH (0.64) XDHKDM4EALDH1A1HSD17B10HPGDS
SCHEMBL18100450 0.81 ATM (0.61) XDHKDM4EALDH1A1HSD17B10HPGDS
SCHEMBL18103155 0.80 RAF1 (0.47) KDM4EALDH1A1HPGDSFOLH1
SCHEMBL13702135 0.79 KDM4E (0.62) XDHKDM4EALDH1A1HPGDMAPT
SCHEMBL31226783 0.79 XDH (0.56) XDHKDM4EALDH1A1HSD17B10HPGDS
SCHEMBL25820302 0.79 XDH (0.56) XDHKDM4EALDH1A1HSD17B10HPGDS
SCHEMBL2247463 0.77 ATM (0.65) XDHKDM4EALDH1A1LMNAGAA
SCHEMBL24883479 0.76 CASP3 (0.53) XDHKDM4EALDH1A1HSD17B10FOLH1
SCHEMBL12314959 0.76 XDH (0.47) XDHKDM4EALDH1A1HSD17B10HPGDS
SCHEMBL16725467 0.76 FOLH1 (0.49) KDM4EALDH1A1HSD17B10HPGDSFOLH1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793895-B2 Residualizing linkers and uses thereof CENTRE FOR PROBE DEVELOPMENT AND COMMERCIALIZATION 2023-10-24 US disclosed
US-11793895-B2 Residualizing linkers and uses thereof CENTRE FOR PROBE DEVELOPMENT AND COMMERCIALIZATION 2023-10-24 US disclosed
US-20210060190-A1 RESIDUALIZING LINKERS AND USES THEREOF CENTRE FOR PROBE DEVELOPMENT AND COMMERCIALIZATION (CA) 2021-03-04 US disclosed
US-10758636-B2 Residualizing linkers and uses thereof CENTRE FOR PROBE DEVELOPMENT AND COMMERCIALIZATION (CA) 2020-09-01 US disclosed
US-20160279272-A1 RESIDUALIZING LINKERS AND USES THEREOF CENTRE FOR PROBE DEVELOPMENT AND COMMERCIALIZATION (CA) 2016-09-29 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 (4 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-20210060190-A1 RESIDUALIZING LINKERS AND USES THEREOF CD44, CD47, MTCL3 XDH 2379/4885KDM4E 937/4885ALDH1A1 619/4885
US-20160279272-A1 RESIDUALIZING LINKERS AND USES THEREOF CD44, CD47, MTCL3 XDH 2379/4885KDM4E 937/4885ALDH1A1 619/4885
US-10758636-B2 Residualizing linkers and uses thereof CD44, CD47, MTCL3 XDH 2379/4885KDM4E 937/4885ALDH1A1 619/4885
US-11793895-B2 Residualizing linkers and uses thereof CD44, CD47, MTCL3 XDH 2379/4885KDM4E 937/4885ALDH1A1 619/4885

“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.