SCHEMBL4114459

SCHEMBL4114459

CC(Br)C(=O)c1cccc2c(F)cc(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHRM2 P08172 1/20 0.38
CES2 O00748 7/20 0.37
CES1 P23141 7/20 0.37
PDPK1 O15530 1/20 0.35
RPS6KB1 P23443 1/20 0.35
HTT P42858 1/20 0.33
BCHE P06276 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALB P02768 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL4109757 0.83 CES2 (0.41) ALDH1A1CYP1A2CYP2C9CES2CES1
SCHEMBL4103684 0.79 CNR1 (0.42) ALDH1A1CYP1A2CYP2C9CHRM2CES2
SCHEMBL6518724 0.78 CES2 (0.57) ALDH1A1CES2CES1HTT
SCHEMBL4104969 0.78 CYP1A2 (0.41) ALDH1A1CYP1A2CYP2C9CHRM2AKR1C3
SCHEMBL4114438 0.78 PTPN1 (0.41) ALDH1A1CYP1A2CYP2C9CHRM2CES2
Bromide SCHEMBL2097705 0.77 CES2 (0.56) ALDH1A1CES2CES1HTT
SCHEMBL4109111 0.76 CES2 (0.38) ALDH1A1CYP1A2CYP2C9CHRM2CES2
SCHEMBL4103736 0.76 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C9CES2CES1
SCHEMBL4109795 0.76 CES2 (0.38) ALDH1A1CYP1A2CYP2C9CHRM2CES2
SCHEMBL1155548 0.74 CES2 (0.55) ALDH1A1CES2CES1HTTBCHE

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-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 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-20090221645-A1 Dihydroimidazothiazole Derivatives TPH1, HTR3B, HTR1A ALDH1A1 195/4885CYP1A2 137/4885CYP2C9 293/4885

“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.