SCHEMBL26213330

SCHEMBL26213330

CC(C)(C)OC(=O)NCCOC(=O)c1[nH]c2ccc(F)cc2c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRA6 Q16445 1/20 0.43
KMT2A Q03164 4/20 0.40
PLK1 P53350 3/20 0.40
IDO1 P14902 2/20 0.40
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MTNR1A P48039 4/20 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
SCHEMBL24196769 0.89 KDM4E (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24196103 0.85 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26213297 0.78 KDM4E (0.46) IDO1KDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL26213303 0.78 KMT2A (0.56) KMT2AKDM4ESMN1; SMN2HPGDMEN1
SCHEMBL26213325 0.77 DRD2 (0.42) GABRA1GABRA3KMT2AKDM4ESMN1; SMN2
SCHEMBL2735787 0.76 KMT2A (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26213316 0.74 KDM4E (0.45) KMT2AKDM4ESMN1; SMN2HPGDMEN1
SCHEMBL26213327 0.74 KMT2A (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26213311 0.70 TUBB4A (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8194888 0.70 NOTUM (0.70) MAPTMTNR1AMTNR1B

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-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2023-09-07 US disclosed
US-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2023-09-07 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-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER CSNK2A1, IDO1, CSNK2A3 GABRA1 4243/4885GABRG2 4300/4885GABRB3 3858/4885

“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.