SCHEMBL5214256

SCHEMBL5214256

O=C(c1ccccc1)C(Br)CCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ MDM2 Q00987 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CES1 P23141 6/20 0.44
▸ CES2 O00748 5/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ ALKBH5 Q6P6C2 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HRH1 P35367 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
SCHEMBL4935875 0.82 SLC6A2 (0.53) GSK3BPTPN1MDM2TDP1L3MBTL1
SCHEMBL9768627 0.82 MAPK1 (0.45) GSK3BPTPN1MDM2TDP1L3MBTL1
SCHEMBL2823791 0.82 SLC6A2 (0.53) GSK3BPTPN1MDM2TDP1L3MBTL1
SCHEMBL9449271 0.81 NPC1 (0.49) GSK3BPTPN1MDM2TDP1L3MBTL1
SCHEMBL11083245 0.81 MDM2 (0.52) MDM2TDP1NPC1HTTRAB9A
SCHEMBL648332 0.79 CES2 (0.47) MDM2CES1CES2LMNAMAPK1
SCHEMBL1248513 0.78 LCK (0.55) CES1CES2MAPK1MAPTNPC1
SCHEMBL10793235 0.78 HPGD (0.44) MDM2TDP1L3MBTL1CES1CES2
SCHEMBL10658190 0.78 MAPK1 (0.48) GSK3BPTPN1MDM2TDP1L3MBTL1
SCHEMBL10656178 0.78 MDM2 (0.47) GSK3BPTPN1MDM2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 — — US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 — — US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 — — EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 GSK3B 3688/4885PTPN1 1878/4885MDM2 3212/4885

“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.

Send feedback