SCHEMBL3793159

SCHEMBL3793159

Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.65
KIF11 P52732 4/20 0.63
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
KDM1A O60341 1/20 0.58
TAAR1 Q96RJ0 3/20 0.57
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGS1 P23219 1/20 0.47
IKBKB O14920 1/20 0.47
PGR P06401 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
BRD4 O60885 1/20 0.47
ASIC3 Q9UHC3 1/20 0.47
AGXT P21549 1/20 0.47

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
SCHEMBL26827704 0.87 MAOB (0.62) MAOBKIF11TSHRMAPK1KDM1A
SCHEMBL3789224 0.86 TSHR (0.76) MAOBKIF11TSHRMAPK1KDM1A
SCHEMBL24106776 0.85 KIF11 (0.67) MAOBKIF11TSHRMAPK1KDM1A
SCHEMBL26821704 0.85 KIF11 (0.67) MAOBKIF11TSHRMAPK1KDM1A
SCHEMBL16068255 0.85 KIF11 (0.67) MAOBKIF11TSHRMAPK1KDM1A
SCHEMBL29678302 0.85 TSHR (0.58) MAOBKIF11TSHRMAPK1KDM1A
SCHEMBL1263144 0.85 TSHR (0.58) MAOBKIF11TSHRMAPK1KDM1A
SCHEMBL26821702 0.83 MAOB (0.59) MAOBKIF11TSHRMAPK1KDM1A
SCHEMBL29420699 0.83 KIF11 (0.62) MAOBKIF11TSHRMAPK1KDM1A
SCHEMBL307920 0.83 KIF11 (0.62) MAOBKIF11TSHRMAPK1KDM1A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019147893-A1 ANTHELMINTIC COMPOUNDS, AND METHODS OF MAKING AND USING THE SAME THE UNIVERSITY OF TOLEDO (US) 2019-08-01 WO disclosed
CN-104017214-A Light-colored transparent polyimide based on m-terphenyl diamine as well as preparation method and application thereof UNIV SUN YAT SEN 2014-09-03 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-1863772-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP disclosed
US-7244776-B2 Ultraviolet light absorbers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-07-17 US disclosed
US-20070100031-A1 Ultraviolet light absorbers RAVICHANDRAN RAMANATHAN 2007-05-03 US disclosed
WO-2007028424-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-15 WO disclosed
US-7173128-B2 Ultraviolet light absorbers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-02-06 US disclosed
US-20060183754-A1 Amide bridged piphenyl or biazaphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 US disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 EP disclosed
EP-0671928-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS. CHIRON CORP (US) 1997-04-23 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO disclosed
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 US disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 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 (2 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-20060183754-A1 Amide bridged piphenyl or biazaphenyl derivatives PPARD, PPARA, PPARG MAOB 3688/4885KIF11 2818/4885TSHR 226/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAOB 101/4885KIF11 3999/4885TSHR 1688/4885

“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.