SCHEMBL3146063

SCHEMBL3146063

CC(=O)c1cc(Cl)c(Cl)cc1OC(F)(F)Br

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.35
ABCB1 P08183 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
RORC P51449 1/20 0.32
GAA P10253 1/20 0.32
PNLIP P16233 1/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31

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
SCHEMBL3151867 0.88 KCNK3 (0.40) CYP3A4TSHRAKR1C2AKR1C1PNLIP
SCHEMBL10986650 0.76 HTT (0.52) CYP3A4TSHRKMT2ALMNAHTT
SCHEMBL10780641 0.75 POLB (0.41) CYP3A4TSHRKMT2AHTTMAPT
SCHEMBL617661 0.70 MAPT (0.47) CYP3A4KMT2ALMNAHTTMAPT
SCHEMBL10575131 0.68 SMN1; SMN2 (0.41) CYP3A4TSHRLMNAHTTMAPT
SCHEMBL17071867 0.67 POLB (0.43) TSHRMAPTNPC1HPGDRAB9A
SCHEMBL8894587 0.67 CYP3A4 (0.50) CYP3A4TSHRKMT2ALMNAHTT
SCHEMBL6742081 0.67 HTT (0.55) CYP3A4TSHRKMT2ALMNAHTT
SCHEMBL11274091 0.67 LMNA (0.71) CYP3A4TSHRKMT2APTGDR2LMNA
SCHEMBL10455965 0.67 NPC1 (0.48) CYP3A4KMT2ALMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CYP3A4 2097/4885TSHR 1710/4885KMT2A 2179/4885

“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.