SCHEMBL3287601

SCHEMBL3287601

C#CCOc1ccc(C(=O)Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.41
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PDE4B Q07343 1/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
HTR2A P28223 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTR2C P28335 2/20 0.36

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
SCHEMBL2283999 0.86 LMNA (0.57) LMNAMAPK1HTTRAB9APDE4B
Hydrochloric Acid SCHEMBL4251669 0.85 LMNA (0.55) LMNAMAPK1HTTRAB9APDE4B
SCHEMBL12799708 0.85 MAOB (0.44) CYP2B6LMNAMAPK1HTTRAB9A
SCHEMBL2287455 0.85 CA12 (0.49) CYP2B6LMNAMAPK1HTTRAB9A
SCHEMBL15233685 0.81 HTT (0.45) KCNQ3KCNQ2LMNAMAPK1HTT
SCHEMBL2286198 0.81 CYP2B6 (0.54) CYP2B6MAPK1PDE4BTSHRMRGPRX4
SCHEMBL2285882 0.80 NPC1 (0.35) CYP2B6LMNAMAPK1HTTHPGD
SCHEMBL3805007 0.79 TSHR (0.49) CYP2B6LMNAMAPK1RAB9APDE4B
SCHEMBL1929575 0.77 NPC1 (0.37) CYP2B6LMNARAB9AHPGDTSHR
SCHEMBL15067643 0.77 THRA (0.43) KCNQ3KCNQ2LMNAMAPK1HTT

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
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-1940779-B1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO (JP) 2009-07-22 EP disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
EP-1940779-A2 AMIDE COMPOUNDS AND THEIR USE Sumitomo Chemical Company, Limited (JP) 2008-07-09 EP disclosed
WO-2007049729-A2 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 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 (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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA CYP2B6 2145/4885KCNQ3 3452/4885KCNQ2 2644/4885
US-20080319080-A1 Amide Compounds and Their Use NAT1, ACAT2, NAAA CYP2B6 2549/4885KCNQ3 3705/4885KCNQ2 2953/4885

“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.