SCHEMBL4529329

SCHEMBL4529329

O=C(OCCCCBr)c1cc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
FLT3 P36888 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
DAO P14920 1/20 0.50
SRD5A2 P31213 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
PTPN2 P17706 1/20 0.49

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
SCHEMBL4519869 0.87 AKR1C3 (0.58) KDM4ELMNATP53L3MBTL1FLT3
SCHEMBL6533183 0.86 DRD2 (0.58) KDM4ELMNATP53L3MBTL1FLT3
SCHEMBL22265093 0.86 KDM4E (0.58) KDM4ELMNATP53L3MBTL1FLT3
SCHEMBL5935742 0.85 GPR84 (0.58) KDM4ELMNATP53L3MBTL1FLT3
SCHEMBL5289613 0.84 DRD2 (0.59) KDM4ELMNATP53L3MBTL1FLT3
SCHEMBL24960989 0.83 KDM4E (0.56) KDM4ELMNATP53L3MBTL1FLT3
SCHEMBL7169528 0.81 KDM4E (0.61) KDM4ELMNATP53L3MBTL1FLT3
SCHEMBL27408412 0.81 KDM4E (0.56) KDM4ELMNATP53L3MBTL1FLT3
SCHEMBL4765627 0.80 KDM4E (0.49) KDM4ELMNATP53L3MBTL1FLT3
SCHEMBL22265092 0.78 ALOX15 (0.67) KDM4ELMNAFLT3ALDH1A1HPGD

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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 KDM4E 3299/4885LMNA 4772/4885TP53 4710/4885

“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.