SCHEMBL4572091

SCHEMBL4572091

COC(=O)c1cccc(Cc2c(C(C)(C)C)[nH]c3cc(N)ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
RAB9A P51151 4/20 0.46
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
MPO P05164 1/20 0.43
KIF11 P52732 2/20 0.42
SLC7A5 Q01650 1/20 0.42
DHFR P00374 1/20 0.42
NPC1 O15118 3/20 0.41
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
DHODH Q02127 1/20 0.39
HIF1A Q16665 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
SCHEMBL4568120 0.88 RAB9A (0.47) LOXL2RAB9ACYP4F2CYP4A11MPO
SCHEMBL4568118 0.88 RAB9A (0.47) LOXL2RAB9ACYP4F2CYP4A11MPO
SCHEMBL4568122 0.87 MRGPRX4 (0.47) LOXL2RAB9ACYP4F2CYP4A11KIF11
SCHEMBL4568107 0.87 RAB9A (0.46) LOXL2RAB9ACYP4F2CYP4A11KIF11
SCHEMBL4568110 0.87 RAB9A (0.49) LOXL2RAB9ACYP4F2CYP4A11KIF11
SCHEMBL4568123 0.85 MRGPRX4 (0.49) LOXL2RAB9ACYP4F2CYP4A11KIF11
SCHEMBL10314414 0.83 MDM4 (0.46) LOXL2RAB9ACYP4F2CYP4A11MPO
SCHEMBL4568146 0.77 MRGPRX4 (0.49) RAB9ANPC1SMN1; SMN2MRGPRX4
SCHEMBL4568165 0.77 GPR17 (0.43) KIF11DHFRSMN1; SMN2MRGPRX4
SCHEMBL4568168 0.76 MRGPRX4 (0.48) KIF11MRGPRX4

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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R LOXL2 405/4885RAB9A 1646/4885CYP4F2 2963/4885

“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.