SCHEMBL6203952

SCHEMBL6203952

O=C(c1ccc(Br)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.54
CES1 P23141 8/20 0.54
LMNA P02545 2/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
STAT1 P42224 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
Benzoin SCHEMBL6199979 0.92 LMNA (0.64) CES2CES1LMNANPC1SMN1; SMN2
SCHEMBL5444935 0.91 CES2 (0.63) CES2CES1LMNASMN1; SMN2ALDH1A1
SCHEMBL15680018 0.91 CES2 (0.63) CES2CES1LMNASMN1; SMN2ALDH1A1
SCHEMBL69238 0.91 CES2 (0.58) CES2CES1LMNAMEN1KMT2A
SCHEMBL14525901 0.85 CES2 (0.53) CES2CES1LMNAMEN1KMT2A
SCHEMBL11623531 0.82 CES2 (0.50) CES2CES1LMNANPC1SMN1; SMN2
SCHEMBL11623528 0.82 CES2 (0.50) CES2CES1LMNANPC1SMN1; SMN2
SCHEMBL10392118 0.82 CES2 (0.54) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL6201840 0.81 LMNA (0.74) CES2CES1LMNASMN1; SMN2MEN1
SCHEMBL6836825 0.81 CES2 (0.74) CES2CES1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425283-B1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2005-03-16 EP disclosed
US-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-23 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-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof DPYD, TPMT, TYMP CES2 2864/4885CES1 2522/4885LMNA 4528/4885

“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.