SCHEMBL5437514

SCHEMBL5437514

FC(F)(F)n1nnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
THPO P40225 1/20 0.50
CYP4Z1 Q86W10 1/20 0.50
DGAT1 O75907 1/20 0.46
PTPN1 P18031 4/20 0.45
PTPRC P08575 3/20 0.45
PTPN2 P17706 2/20 0.45
GRM2 Q14416 1/20 0.43
RAB9A P51151 1/20 0.42
KCNMA1 Q12791 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
SCHEMBL8974372 0.98 SLC9A1 (0.48) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL20654566 0.81 SLC9A1 (0.44) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL17012578 0.80 POLB (0.47) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL6905682 0.79 SLC9A1 (0.50) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL7760804 0.79 SLC9A1 (0.55) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL23077724 0.76 POLB (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL21220894 0.76 SLC9A1 (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL8631035 0.76 MAPT (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL10607208 0.76 SLC9A1 (0.52) SLC9A1POLBMAPK1ATMKEAP1
SCHEMBL28941549 0.73 SMN1; SMN2 (0.51) ALDH1A1CYP1A2MAPTRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5573708-A ACID-SUBSTITUTED PERFLUOROALKYLBENZENES UNION CHEMICAL CO., LTD. (JP) 1996-11-12 US claimed
EP-0569884-B1 Rust inhibitor UNION CHEMICAL CO LTD (JP) 1996-09-18 EP claimed
EP-0569884-A1 Rust inhibitor UNION CHEMICAL CO., LTD. (JP) 1993-11-18 EP claimed
EP-2705024-A1 ALKYNE BENZOTRIAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2014-03-12 EP disclosed
EP-1983008-B1 FLUORINE-CONTAINING POLYMER CONTAINING HETEROAROMATIC RING DAIKIN IND LTD (JP) 2012-12-26 EP disclosed
WO-2012151139-A1 ALKYNE BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-11-08 WO disclosed
CN-102272105-A enantiomerically enriched aryloazol-2-yl cyanoethylamino parasiticidal compounds 2011-12-07 CN disclosed
EP-1983008-A1 FLUORINE-CONTAINING POLYMER CONTAINING HETEROAROMATIC RING Daikin Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-5573708-A ACID-SUBSTITUTED PERFLUOROALKYLBENZENES UNION CHEMICAL CO., LTD. (JP) 1996-11-12 US disclosed
EP-0569884-B1 Rust inhibitor UNION CHEMICAL CO LTD (JP) 1996-09-18 EP disclosed
US-5487846-A FLUORINE-SUBSTITUTED BENZENE DERIVATIVES UNION CHEMICAL CO., LTD. (JP) 1996-01-30 US disclosed
EP-0569884-A1 Rust inhibitor UNION CHEMICAL CO., LTD. (JP) 1993-11-18 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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR SLC9A1 4553/4885POLB 1755/4885MAPK1 197/4885

“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.