SCHEMBL3146332

SCHEMBL3146332

FC(F)(F)Oc1cccc(OC(F)(F)Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.44
SYK P43405 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KIF11 P52732 2/20 0.42
CETP P11597 1/20 0.41
NPY5R Q15761 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
DAO P14920 1/20 0.40
MPI P34949 1/20 0.40

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
SCHEMBL3147185 0.91 GPR3 (0.50) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL3128057 0.83 ACHE (0.48) ALDH1A1MAPT
SCHEMBL5270292 0.83 KCNH2 (0.47) GPR3SYKALDH1A1GAAMAPT
SCHEMBL1526052 0.80 NPC1 (0.53) ALDH1A1MAPT
SCHEMBL6764359 0.80 KCNH2 (0.44) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL19287491 0.80 CETP (0.44) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL1526051 0.80 GPR3 (0.42) GPR3SYKKIF11CETPCHRM2
SCHEMBL246293 0.80 MAOB (0.40) GPR3CETPDAO
SCHEMBL21487338 0.80 KIF11 (0.44) GPR3KIF11CETPCHRM2CHRM1
SCHEMBL14450778 0.80 KIF11 (0.47) GPR3KIF11CETPCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1738794-B Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY 2010-12-22 CN disclosed
EP-1565430-B1 BIGUANIDE DERIVATIVES JACOBUS PHARMA CO INC (US) 2010-02-17 EP disclosed
US-7563792-B2 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2009-07-21 US disclosed
US-20080176852-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES JACOBUS PHARMACEUTICAL COMPANY, INC. 2008-07-24 US disclosed
US-7256218-B2 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2007-08-14 US disclosed
CN-1738794-A Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY (US) 2006-02-22 CN disclosed
EP-1565430-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES JACOBUS PHARMACEUTICAL CO. INC. (US) 2005-08-24 EP disclosed
US-20040116428-A1 Biguanide and dihydrotriazine derivatives JACOBUS PHARMACEUTICAL COMPANY, INC. 2004-06-17 US disclosed
WO-2004048320-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2004-06-10 WO 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-20080176852-A1 BIGUANIDE AND DIHYDROTRIAZINE DERIVATIVES QDPR, DHODH, GLMN GPR3 2395/4885SYK 2728/4885ALDH1A1 2234/4885

“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.