SCHEMBL26412337

SCHEMBL26412337

COC(=O)c1cc(C=Cc2cc(O)c3ccc(Cl)cc3c2)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
APP P05067 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
EGFR P00533 1/20 0.35
PTPN1 P18031 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.34
NR4A2 P43354 1/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL26415357 0.84 SMN1; SMN2 (0.35) MAPTSMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL26412339 0.80 HSD17B10 (0.34) MAPTAPPSMN1; SMN2HSD17B10KDM4E
SCHEMBL26415363 0.75 PLA2G2A (0.39) MAPTSMN1; SMN2HSD17B10KDM4EALDH1A1
SCHEMBL2635623 0.69 LMNA (0.51) MAPTHSD17B10KDM4EALDH1A1GAA
SCHEMBL25934600 0.68 HSD17B10 (0.34) MAPTAPPSMN1; SMN2HSD17B10KDM4E
SCHEMBL26020287 0.68 HSD17B10 (0.34) MAPTAPPSMN1; SMN2HSD17B10KDM4E
SCHEMBL26020502 0.67 CYP1A2 (0.34) MAPTAPPSMN1; SMN2HSD17B10KDM4E
SCHEMBL15784496 0.67 MAPK1 (0.39) HSD17B10KDM4EALDH1A1HPGDCYP1A2
SCHEMBL2904899 0.67 EGFR (0.46) EGFRNR4A2ABL1RXFP1MRGPRX4
SCHEMBL13837541 0.66 MAPK1 (0.38) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD

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-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-04-27 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-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BAK1 MAPT 3113/4885APP 2775/4885SMN1; SMN2 2915/4885

“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.