SCHEMBL5583189

SCHEMBL5583189

O=C(c1ccc2[nH]c3c(c2c1)CCCc1cn[nH]c1-3)N1CCC(O)(Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKLR P30613 2/20 0.46
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK10 P53779 6/20 0.43
RIPK1 Q13546 4/20 0.43
KDR P35968 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MAPK8 P45983 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DDR1 Q08345 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL5583289 0.90 MAPK10 (0.46) PKLRACACBACACACYP3A4CYP2C19
SCHEMBL5582973 0.89 MAPK10 (0.49) PKLRMAPK10RIPK1KDRALDH1A1
SCHEMBL5582988 0.88 ACACB (0.45) PKLRACACBACACACYP3A4GAA
SCHEMBL5583155 0.87 MAPK10 (0.44) ACACBACACAMAPK10RIPK1KDR
SCHEMBL5583135 0.86 MAPK10 (0.48) ACACBACACAMAPK10RIPK1KDR
Sulfuric Acid SCHEMBL5583133 0.85 PKLR (0.46) PKLRACACBACACACYP3A4GAA
SCHEMBL5583248 0.85 MAPK10 (0.48) PKLRACACBACACAGAAMAPK10
SCHEMBL5583184 0.84 PKLR (0.46) PKLRACACBACACACYP3A4GAA
SCHEMBL5583138 0.84 ACACB (0.51) ACACBACACAMAPK10RIPK1KDR
SCHEMBL5583167 0.84 MAPK10 (0.46) PKLRACACBACACAMAPK10RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 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-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 PKLR 1931/4885ACACB 4317/4885ACACA 4327/4885

“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.