SCHEMBL5149435

SCHEMBL5149435

CCCOc1ccc(I)cc1C(=O)N[C@H](O)C(C)c1cn(C)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
NR4A2 P43354 1/20 0.35
KCNB1 Q14721 1/20 0.35
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
CMA1 P23946 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL5149423 1.00 MEN1 (0.39) MEN1KMT2AIDO1KDM4EALDH1A1
SCHEMBL5155947 0.82 CNR2 (0.40) CNR2LMNA
SCHEMBL5155937 0.82 CNR2 (0.40) CNR2LMNA
SCHEMBL5149356 0.81 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1CNR2
SCHEMBL5149347 0.81 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1CNR2
SCHEMBL4601045 0.80 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5149429 0.76 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4035244 0.74 SCN8A (0.39) ALDH1A1
SCHEMBL14557667 0.69 PPARG (0.42) KDM4ERXFP1NR4A2LMNATP53
SCHEMBL14557950 0.68 PPARG (0.41) KDM4ERXFP1NR4A2KCNB1CNR1

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-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R MEN1 410/4885KMT2A 916/4885IDO1 150/4885

“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.