SCHEMBL5149429

SCHEMBL5149429

CCCOc1ccc(I)cc1C(=O)N[C@](C)(O)Cc1cn(C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
S1PR2 O95136 1/20 0.36
PTPN5 P54829 1/20 0.36
NR4A2 P43354 1/20 0.35

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
SCHEMBL5155943 0.82 BRD4 (0.39)
SCHEMBL4601045 0.81 KDM4E (0.40) KDM4ERXFP1LMNATP53KMT2A
SCHEMBL5149351 0.81 ANO1 (0.41) KDM4EKMT2AMEN1ALDH1A1
SCHEMBL5149435 0.76 MEN1 (0.39) KDM4ERXFP1LMNATP53KMT2A
SCHEMBL5149423 0.76 MEN1 (0.39) KDM4ERXFP1LMNATP53KMT2A
SCHEMBL4029370 0.73 HTR1A (0.42)
SCHEMBL14557667 0.70 PPARG (0.42) KDM4ERXFP1LMNATP53NR4A2
SCHEMBL14557712 0.70 KDM4E (0.38) KDM4ERXFP1LMNATP53KMT2A
SCHEMBL14557950 0.69 PPARG (0.41) KDM4ERXFP1LMNATP53NR4A2
SCHEMBL14557707 0.68 PPARD (0.40) KDM4E

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 KDM4E 2399/4885RXFP1 10/4885LMNA 3198/4885

“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.